SCHEMBL22460342

SCHEMBL22460342

O=C(OCc1ccccc1)N(C(=O)OCc1ccccc1)C1CCCC(C2C(O)C(C3CCCC(N(C(=O)OCc4ccccc4)C(=O)OCc4ccccc4)CC3)C2O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TSHR P16473 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TRPM8 Q7Z2W7 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR5 P51681 1/20 0.38
FKBP1A P62942 1/20 0.37
GAA P10253 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK1 P28482 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
SCHEMBL24397539 1.00 ENPP2 (0.45) ENPP2SIGMAR1TSHRCHRM2CHRM5
SCHEMBL24512738 0.89 ENPP2 (0.45) ENPP2SIGMAR1TSHRCHRM2CHRM5
SCHEMBL4056206 0.80 ENPP2 (0.52) ENPP2SIGMAR1TSHRCHRM2CHRM5
SCHEMBL4056164 0.79 ENPP2 (0.54) ENPP2SIGMAR1TSHRCHRM2CHRM5
SCHEMBL8029227 0.74 SIGMAR1 (0.64) ENPP2SIGMAR1TSHRALDH1A1TRPM8
SCHEMBL21872794 0.74 ENPP2 (0.60) ENPP2SIGMAR1TSHRCHRM2CHRM5
SCHEMBL1058888 0.74 SIGMAR1 (0.60) ENPP2SIGMAR1TSHRCHRM2CHRM5
SCHEMBL25221210 0.74 FABP7 (0.55) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27831325 0.74 ALDH1A1 (0.45) ENPP2SIGMAR1TSHRCHRM2CHRM5
SCHEMBL4205099 0.73 SIGMAR1 (0.63) ENPP2SIGMAR1TSHRALDH1A1SMN1; SMN2

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
WO-2020189678-A1 WAVELENGTH CONVERSION FILM, WAVELENGTH CONVERSION DEVICE, LIGHT-EMITTING MEMBER, AUTHENTICATION DEVICE, WRISTBAND-TYPE ELECTRONIC DEVICE AND BIOMETRIC DEVICE コニカミノルタ株式会社 2020-09-24 WO disclosed