SCHEMBL21137825

SCHEMBL21137825

C/C=C/CCCC(=O)NCC(C)C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
HPGD P15428 2/20 0.49
CNR1 P21554 6/20 0.48
CNR2 P34972 5/20 0.46
EPHX2 P34913 2/20 0.45

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
SCHEMBL23613227 0.86 CNR1 (0.56) HPGDCNR1CNR2
SCHEMBL22618721 0.86 TRPV1 (0.49) HPGDCNR1CNR2EPHX2
SCHEMBL23192987 0.86 TRPV1 (0.49) HPGDCNR1CNR2EPHX2
SCHEMBL13155001 0.85 CNR2 (0.59) PPARGPPARDPPARACNR1CNR2
SCHEMBL23872502 0.82 CNR1 (0.46) HPGDCNR1EPHX2
SCHEMBL28725143 0.80 CNR1 (0.53) PPARGPPARDPPARAHPGDCNR1
SCHEMBL16599853 0.80 EPHX2 (0.61) HPGDCNR1CNR2EPHX2
SCHEMBL15355540 0.80 CNR1 (0.53) PPARGPPARDPPARAHPGDCNR1
SCHEMBL16599851 0.80 EPHX2 (0.61) HPGDCNR1CNR2EPHX2
SCHEMBL16291498 0.79 PPARG (0.69) PPARGPPARDPPARAHPGDCNR1

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-2019114666-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-06-20 WO disclosed