SCHEMBL27361272

SCHEMBL27361272

C=CC=Cc1ccccc1.C=Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
MAOB P27338 1/20 0.46
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 2/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
GFER P55789 2/20 0.41
SNCA P37840 1/20 0.41
NFE2L2 Q16236 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
Styrene SCHEMBL10784465 0.88 ALDH1A1 (0.67) ALDH1A1TSHRMAOBMAPK1TRPA1
Styrene SCHEMBL10493198 0.88 ALDH1A1 (0.67) ALDH1A1TSHRMAOBMAPK1TRPA1
Styrene SCHEMBL10534525 0.88 ALDH1A1 (0.67) ALDH1A1TSHRMAOBMAPK1TRPA1
Pyridine SCHEMBL27876889 0.86 MAOB (0.52) ALDH1A1TSHRMAOBCYP11B2CYP11B1
Styrene SCHEMBL7601904 0.86 ALDH1A1 (0.64) ALDH1A1TSHRCYP11B2CYP11B1MAPT
Styrene SCHEMBL27737356 0.86 ALDH1A1 (0.64) ALDH1A1TSHRMAOBMAPK1TRPA1
Styrene SCHEMBL1686030 0.86 ALDH1A1 (0.64) ALDH1A1TSHRMAOBMAPK1TRPA1
SCHEMBL8966407 0.86 JUN (0.46) ALDH1A1MAOBALOX5MAPTNPC1
Styrene SCHEMBL28747695 0.86 ALDH1A1 (0.70) ALDH1A1TSHRCYP11B2CYP11B1MAPT
SCHEMBL8966412 0.86 JUN (0.46) ALDH1A1MAOBALOX5MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101454423-B Method for producing bio-fuel that integrates heat from carbon-carbon bond-forming reactions to drive biomass gasification reactions WISCONSIN ALUMNI RES FOUND (US) 2013-11-06 CN claimed
CN-101454423-A Method for producing bio-fuel that integrates heat from carbon-carbon bond-forming reactions to drive biomass gasification reactions WISCONSIN ALUMNI RES FOUND (US) 2009-06-10 CN claimed
CN-1069623-C Method for preparing carbonyl compound CHIYODA CHEM ENG CONSTRUCT CO (JP) 2001-08-15 CN disclosed
CN-1186796-A Method for preparing carbonyl compound CHIYODA CHEM ENG CONSTRUCT CO (JP) 1998-07-08 CN disclosed