SCHEMBL4445125

SCHEMBL4445125

Oc1cccc2c1C=CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HPN P05981 1/20 0.35
ALOX5 P09917 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35

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
SCHEMBL30421978 0.79 BCHE (0.32)
SCHEMBL16308857 0.79 BCHE (0.32)
SCHEMBL277192 0.78 BCL2L1 (0.39) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL30042387 0.78 BCL2L1 (0.39) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL7464218 0.78 BCL2L1 (0.43) BCL2L1BADALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL28866187 0.77 BCL2L1 (0.38) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL25079074 0.75 DRD2 (0.34) DRD2DRD3
SCHEMBL19390301 0.75 ACHE (0.33) ALDH1A1TSHRDRD2CA2HPGD
SCHEMBL18466666 0.75 BCHE (0.32)
SCHEMBL30887044 0.75 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10TDP1CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013083582-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2013-06-13 WO claimed
CN-110272417-B 2-methyl-1, 8-naphthyridine compound and preparation method and application thereof 五邑大学 2021-07-13 CN disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
WO-2016168450-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-10-20 WO disclosed
WO-2013083582-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2013-06-13 WO disclosed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 WO disclosed
EP-0755527-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2000-03-15 EP disclosed
EP-0157436-B1 PERFUME COMPOSITIONS AND PERFUMED ARTICLES CONTAINING DIHYDRO- AND/OR TETRAHYDRO-NAPHTOLS AS FRAGRANCE MATERIAL NAARDEN INTERNATIONAL N.V. (NL) 1990-01-03 EP disclosed
US-4643844-A LEATHER ODOR 501 Naarden International N.V. (NL) 1987-02-17 US disclosed
EP-0157436-A1 Perfume compositions and perfumed articles containing dihydro- and/or tetrahydro-naphtols as fragrance material NAARDEN INTERNATIONAL N.V. (NL) 1985-10-09 EP disclosed