SCHEMBL401787

SCHEMBL401787

C[C](C)C(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
PTGS2 P35354 1/20 0.46
ADRA2C P18825 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
ADRA2A P08913 1/20 0.46
HIF1A Q16665 1/20 0.46
NOS2 P35228 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CHRM2 P08172 1/20 0.43
ADRA1A P35348 1/20 0.43
RGS12 O14924 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8356528 0.79 PTGS2 (0.59) PTGS2KDM4ELMNAHIF1AALDH1A1
SCHEMBL10253819 0.79 PTGS2 (0.59) PTGS2KDM4ELMNAHIF1AALDH1A1
SCHEMBL6448279 0.79 NOS2 (0.52) PTGS2ADRA2CKDM4ELMNAADRA2A
SCHEMBL24239793 0.79 PTGS2 (0.43) TRPA1PTGS2ADRA2CKDM4ELMNA
SCHEMBL85843 0.79 PTGS2 (0.59) PTGS2KDM4ELMNAHIF1AALDH1A1
SCHEMBL25121303 0.79 PTGS2 (0.43) TRPA1PTGS2ADRA2CKDM4ELMNA
Hydrogen Peroxide SCHEMBL11781309 0.79 PTGS2 (0.59) PTGS2KDM4ELMNAHIF1AALDH1A1
SCHEMBL2163297 0.79 HPGD (0.47) TRPA1PTGS2ADRA2CKDM4ELMNA
SCHEMBL24831361 0.77 TRPA1 (0.44) TRPA1PTGS2ADRA2CKDM4ELMNA
Acetic Acid SCHEMBL10527194 0.77 PTGS2 (0.69) PTGS2KDM4ELMNAHIF1AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893171-A1 ANHYDROUS COSMETIC COMPOSITION COMPRISING A CROSSLINKED POLYROTAXANE AND AN OIL L'OREAL (FR) 2008-03-05 EP claimed
WO-2006131403-A1 ANHYDROUS COSMETIC COMPOSITION COMPRISING A CROSSLINKED POLYROTAXANE AND AN OIL L'OREAL (FR) 2006-12-14 WO claimed
US-4608391-A NERUOUS SYSTEM DISORDERS, PARKINSON$S DISEASE CORNELL RESEARCH FOUNDATION INC. (US) 1986-08-26 US claimed
EP-3863724-A1 METHOD FOR TREATING KERATIN MATERIALS USING AN ACRYLIC ANHYDRIDE POLYMER IN OILY DISPERSION AND AN AMINE COMPOUND L'OREAL (FR) 2021-08-18 EP disclosed
CN-109666032-B Preparation method of pyromellitic anhydride 沾化大荣化工科技有限公司 2020-07-07 CN disclosed
EP-2872519-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS UNIVERSITE DE BORDEAUX (FR) 2015-05-20 EP disclosed
WO-2015028733-A1 CONTROLLED DISPENSING OF A COSMETIC MAKE-UP COMPOSITION OREAL (FR) 2015-03-05 WO disclosed
WO-2014009169-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS UNIVERSITE DE BORDEAUX 1 (FR) 2014-01-16 WO disclosed
US-8569405-B2 Additive mixtures for styrenic polymers BASF SE (DE) 2013-10-29 US disclosed
EP-1249845-B1 Stabilized medium and high voltage cable insulation composition BASF SE (DE) 2012-07-11 EP disclosed
US-8217105-B2 Stabilized medium and high voltage insulation composition BASF SE (DE) 2012-07-10 US disclosed
US-4759862-A O,p-bifunctionalized o'-substituted phenols CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4741846-A STABILIZERS FOR POLYMERS OR LUBRICANTS CIBA-GEIGY CORPORATION (US) 1988-05-03 US disclosed
US-4661610-A Preparation of veratryl cyanide BASF AKTIENGESELLSCHAFT (DE) 1987-04-28 US disclosed
US-4608391-A NERUOUS SYSTEM DISORDERS, PARKINSON$S DISEASE CORNELL RESEARCH FOUNDATION INC. (US) 1986-08-26 US disclosed
US-4559083-A CONTROLLING MONO-AND DICOTYLEDONOUS WEEDS USING A MIXTURE ALSO INCLUDING A DILUENT AND SURFACTANT ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) 1985-12-17 US disclosed
EP-0142797-A2 Method for the preparation of acetonitriles substituted in position 2 by an aromatic or heterocyclic substituent BASF Aktiengesellschaft (DE) 1985-05-29 EP disclosed
EP-0046194-A1 Process for the preparation of o,o-disubstituted benzoic acids and their salts BASF Aktiengesellschaft (DE) 1982-02-24 EP disclosed
EP-0019158-A1 Process for the production of m-substituted N-methylanilines BASF Aktiengesellschaft (DE) 1980-11-26 EP disclosed
US-4181738-A DOPAMINERGIC CORNELL RESEARCH FOUNDATION, INC. (US) 1980-01-01 US disclosed