SCHEMBL9329319

SCHEMBL9329319

C=Cc1ccncc1.CC(C)(C)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 2/20 0.41
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
GFER P55789 1/20 0.39
NFE2L2 Q16236 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37

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 SCHEMBL3804814 0.89 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C19NFE2L2CYP19A1
Styrene SCHEMBL10988082 0.89 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C19NFE2L2CYP19A1
Styrene SCHEMBL11880094 0.89 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C19NFE2L2CYP19A1
SCHEMBL13508334 0.85 MAPT (0.47) ALDH1A1CYP2C19MAPTNPC1GFER
Styrene SCHEMBL28747695 0.83 ALDH1A1 (0.70) ALDH1A1TSHRCYP11B2CYP11B1MAPT
Styrene SCHEMBL9192273 0.83 ALDH1A1 (0.70) ALDH1A1TSHRCYP11B2CYP11B1MAPT
Styrene SCHEMBL2956365 0.83 ALDH1A1 (0.70) ALDH1A1TSHRCYP11B2CYP11B1MAPT
SCHEMBL27361272 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP11B2CYP11B1MAPT
Ethylene SCHEMBL17997367 0.81 CYP2C19 (0.52) ALDH1A1TSHRCYP2C19MAPTNFE2L2
SCHEMBL6286942 0.81 CYP2C19 (0.55) ALDH1A1TSHRCYP2C19MAPTNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586475-A1 SULFONATED COPOLYMER OF AN ISOOLEFIN AND AN ALKYL-STYRENE EXXON CHEMICAL PATENTS INC. (US) 1994-03-16 EP disclosed
EP-0519645-A2 Binary polyolefin blends EXXON RESEARCH AND ENGINEERING COMPANY (US) 1992-12-23 EP disclosed
WO-1992019657-A1 SULFONATED COPOLYMER OF AN ISOOLEFIN AND AN ALKYL-STYRENE EXXON CHEMICAL PATENTS INC. (US) 1992-11-12 WO disclosed
US-H1077-H Thickeners Peiffer, Dennis G. (US) 1992-07-07 US disclosed
EP-0308240-B1 GLASS FIBER COMPOSITE EXXON RESEARCH AND ENGINEERING COMPANY (US) 1992-06-17 EP disclosed
US-4942189-A SULFONATED POLYMERS MIXED WITH COPOLYMER OF STYRENE-VINYLPYRIDINE EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-07-17 US disclosed
US-4935301-A INTERPOLYMER COMPLEX OF NEUTRALIZED, SULFONATED POLYMER AND AMINE-CONTAINING POLYMER; CEMENTS EXXON RESEARCH AND ENGINEERING COMPNAY (US) 1990-06-19 US disclosed
US-4923517-A ENCAPSULATION WITH ANIONIC AND CATIONIC INTERPOLYMER COATING EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-05-08 US disclosed
WO-1990004572-A1 IMPROVED GLASS FIBER REINFORCED CEMENT COMPOSITIONS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-05-03 WO disclosed
EP-0308240-A1 Glass fiber composite EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-03-22 EP disclosed
US-4701204-A NEUTRALIZED SULFONATED ELASTOMER WITH AMINE CONTAINING POLYMER; TIME-RELEASE AGENTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-10-20 US disclosed
US-4621111-A INTERPOLYMER COMPLEX OF NEUTRALIZED COPOLYMER OF ALPHA-OLEFIN AND VINYL ALKYLENECARBOXYLIC ACID WITH AMINE CONTAINING POLYMER; SHEAR THICKENING AGENT EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-11-04 US disclosed
US-4599377-A Acid base interacting polymer solutions EXXON RESEARCH AND ENGINEERING CO. (US) 1986-07-08 US disclosed
US-4497923-A MIXTURES OF ANIONIC AND CATIONIC POLYMERS EXXON RESEARCH & ENGINEERING CO. (US) 1985-02-05 US disclosed