SCHEMBL7592145

SCHEMBL7592145

CC(C)(C)c1ccc(/C=C/C=C/c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
CYP1A2 P05177 1/20 0.52
TRPV1 Q8NER1 2/20 0.51
TRPA1 O75762 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ESRRG P62508 1/20 0.44
RELA Q04206 1/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAOA P21397 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7512833 1.00 MAOB (0.61) MAOBCYP1A2TRPV1TRPA1LMNA
SCHEMBL7535089 0.91 CYP1A2 (0.55) MAOBCYP1A2TRPV1TRPA1LMNA
SCHEMBL6546384 0.91 CYP1A2 (0.55) MAOBCYP1A2TRPV1TRPA1LMNA
SCHEMBL28779440 0.91 CYP1A2 (0.55) MAOBCYP1A2TRPV1TRPA1LMNA
SCHEMBL29349761 0.91 CYP1A2 (0.59) MAOBCYP1A2TRPV1LMNAMAPK1
SCHEMBL10588614 0.90 MAOB (0.48) MAOBCYP1A2TRPV1LMNAALOX5
SCHEMBL8107925 0.83 MAOB (0.56) MAOBTRPV1TRPA1LMNAMAPK1
SCHEMBL10536765 0.83 TSHR (0.65) CYP1A2TRPV1LMNAALDH1A1ALOX5
SCHEMBL20059518 0.82 TRPV1 (0.52) MAOBCYP1A2TRPV1LMNAMAPK1
SCHEMBL8881303 0.82 TRPV1 (0.46) CYP1A2TRPV1LMNAALOX5NR1H2

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
EP-0796267-B1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES DOW CHEMICAL CO (US) 1998-12-02 EP claimed
EP-0796267-A1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-09-24 EP claimed
WO-1996017857-A1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-06-13 WO claimed
EP-1124834-B1 PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES DOW CHEMICAL CO (US) 2002-11-06 EP disclosed
EP-1124834-A1 PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-08-22 EP disclosed
US-6090962-A Preparation of titanium(II) or zirconium(II) complexes THE DOW CHEMICAL COMPANY (US) 2000-07-18 US disclosed
WO-2000026221-A1 PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-05-11 WO disclosed
EP-0796267-B1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES DOW CHEMICAL CO (US) 1998-12-02 EP disclosed
EP-0796267-A1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-09-24 EP disclosed
WO-1996017857-A1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-06-13 WO disclosed
US-5512693-A Preparation of titanium (II) or zirconium (II) complexes THE DOW CHEMICAL COMPANY (US) 1996-04-30 US disclosed