SCHEMBL8632787

SCHEMBL8632787

C=CCOC(=O)/C(C)=C/N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
TSHR P16473 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SNCA P37840 1/20 0.36
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPK1 P28482 2/20 0.33
PTP4A3 O75365 2/20 0.33
PTP4A1 Q93096 2/20 0.33
PTP4A2 Q12974 1/20 0.33
KDM4E B2RXH2 3/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
APP P05067 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL642158 1.00 MAPT (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL3257412 0.93 MAPT (0.35) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL524629 0.83 TSHR (0.41) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL9241885 0.83 TSHR (0.41) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL45287 0.83 TSHR (0.41) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL16671849 0.81 CYP2D6 (0.36) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL175302 0.81 TSHR (0.40) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL3264769 0.79 TSHR (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL6536449 0.79 TSHR (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL27543519 0.79 TSHR (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115475106-A Spray hair colorant compositions 朋友株式会社 2022-12-16 CN disclosed
CN-112040936-A Transdermal therapeutic system for the transdermal administration of solifenacin 罗曼治疗系统股份公司 2020-12-04 CN disclosed
US-5723113-A NONIONIC AND CATIONIC ACRYLIC POLYMERS CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1998-03-03 US disclosed
US-5599532-A BLEND OF NONIONIC POLYMER AND ANIONIC POLYMER CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1997-02-04 US disclosed
US-4058371-A ETHYLENE-VINYL ESTER COPOLYMER, AROMATIC-ACRYLIC COPOLYMER EXXON RESEARCH & ENGINEERING CO. (US) 1977-11-15 US disclosed