SCHEMBL13409352

SCHEMBL13409352

COc1ccc2c(OC(C)C)ncc(Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.40
PLG P00747 1/20 0.40
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
CYP17A1 P05093 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP3A4 P08684 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36

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
SCHEMBL8271703 0.86 PLAU (0.45) PLAUPLGPDE4APDE4BPDE4C
SCHEMBL13409361 0.84 TRPM8 (0.41) TSHRSMN1; SMN2MAPTATMCYP3A4
SCHEMBL13409358 0.78 MAPT (0.47) PLAUTSHRSMN1; SMN2MAPTATM
SCHEMBL1536440 0.78 PLAU (0.46) PLAUPLGPDE4APDE4BPDE4C
SCHEMBL1536456 0.74 PLAU (0.49) PLAUPLGPDE4APDE4BPDE4C
SCHEMBL17433286 0.74 ACACB (0.43) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL13385161 0.73 TRPA1 (0.56) PLAUCYP2C9MAPTATMCYP3A4
SCHEMBL13757489 0.73 TRPA1 (0.56) MAPTATM
SCHEMBL24916397 0.72 P2RX3 (0.42) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL3431729 0.71 TRPM8 (0.40) TSHRSMN1; SMN2MAPTATMALDH1A1

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
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed