SCHEMBL9728260

SCHEMBL9728260

NC(=O)OC(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP3A4 P08684 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.42
KIF11 P52732 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
MRGPRX2 Q96LB1 1/20 0.39
CHRM3 P20309 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL2484068 0.85 CYP1A2 (0.48) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL5846769 0.85 CYP2C19 (0.48) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL12478787 0.82 CYP2C19 (0.46) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL9189250 0.82 ALDH1A1 (0.47) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL6497924 0.81 MAPT (0.42) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL6932097 0.81 CYP1A2 (0.42) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL3839265 0.81 MAPK1 (0.49) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP2C9
Phosphine SCHEMBL6248436 0.81 ALDH1A1 (0.46) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL7619909 0.79 SLC6A2 (0.48) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL27830529 0.79 HTT (0.45) HIF1ASMN1; SMN2CYP1A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084541-A Self curing, crosslinking compounds to form environmentally resistant coatings AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed
US-4939213-A Triazine crosslinking agents and curable compositions containing the same AMERICAN CYANAMID COMPANY (US) 1990-07-03 US disclosed
US-4380604-A Radiation-hardenable acrylic acid esters containing urethane groups and their use BAYER AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed