SCHEMBL31415580

SCHEMBL31415580

CCC(C)CCCCCC#Cc1cccc2c1C(=O)OC2=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 3/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL31415633 0.85 KCNH2 (0.46) CYSLTR2CYSLTR1KCNH2CYP3A4CYP2C9
SCHEMBL2810677 0.85 KCNH2 (0.46) CYSLTR2CYSLTR1KCNH2CYP3A4CYP2C9
SCHEMBL5085494 0.83 KCNH2 (0.43) CYSLTR2CYSLTR1KCNH2CYP3A4CYP2C9
SCHEMBL2815242 0.82 CYP3A4 (0.40) CYSLTR2CYSLTR1KCNH2CYP3A4CYP2C9
SCHEMBL2808745 0.76 ALOX15 (0.38) TSHRALDH1A1TDP1
SCHEMBL2813456 0.73 ALOX15 (0.32) TDP1
SCHEMBL11875024 0.73 ALOX15 (0.32) TSHRALDH1A1TDP1
SCHEMBL31415575 0.72 GRM5 (0.34) TDP1
SCHEMBL12814518 0.71 TDP1 (0.48) TSHRKDM4EALDH1A1MAPTHPGD
SCHEMBL29012271 0.70 ALOX15 (0.38) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119529854-A Liquid crystal alignment agent, manufacturing method thereof, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2025-02-28 CN disclosed