SCHEMBL10801331

SCHEMBL10801331

C=CCC(Cc1ccccc1)OC(CC=C)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 2/20 0.40
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 4/20 0.38
SLC6A2 P23975 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.36
SLC18A2 Q05940 1/20 0.35
ANPEP P15144 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL296869 0.85 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1CYP2C19TSHRATM
SCHEMBL7889486 0.80 EPHX1 (0.52) EPHX1TSHRTAAR1SLC6A2SIGMAR1
Ammonia Solution, Strong SCHEMBL15012391 0.78 EPHX1 (0.50) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL1776277 0.76 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19TSHRATML3MBTL1
SCHEMBL19899196 0.75 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1CYP2C19TSHRATM
SCHEMBL19899208 0.75 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1CYP2C19TSHRATM
SCHEMBL15184700 0.73 TRPA1 (0.44) SMN1; SMN2EPHX1CYP2C19TSHRATM
SCHEMBL2369596 0.73 TRPA1 (0.44) SMN1; SMN2EPHX1CYP2C19TSHRATM
SCHEMBL1071466 0.73 TAAR1 (0.48) SMN1; SMN2EPHX1TAAR1SLC6A2SIGMAR1
SCHEMBL3257633 0.73 SMN1; SMN2 (0.44) SMN1; SMN2EPHX1CYP2C19TSHRATM

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-117280252-A Multifocal diffractive silicone hydrogel contact lenses 爱尔康公司 2023-12-22 CN claimed
CN-117280252-A Multifocal diffractive silicone hydrogel contact lenses 爱尔康公司 2023-12-22 CN disclosed
CN-116888193-A Polysiloxane vinyl cross-linking agent with high refractive index 爱尔康公司 2023-10-13 CN disclosed
US-4673672-A ANTITUMOR AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1987-06-16 US disclosed