SCHEMBL9745151

SCHEMBL9745151

COC(=O)c1c(C(C)C)nc(N(C)C)c(C(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.60
DHODH Q02127 1/20 0.39
LMNA P02545 1/20 0.39
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 2/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ESR1 P03372 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 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
SCHEMBL5095186 0.89 GCGR (0.56) GCGRDHODHLMNASMN1; SMN2NPC1
SCHEMBL9870958 0.88 GCGR (0.72) GCGRDHODHLMNAFABP3FABP4
SCHEMBL5094915 0.87 GCGR (0.59) GCGRDHODHLMNASMN1; SMN2NPC1
SCHEMBL6565362 0.85 GCGR (0.79) GCGRDHODHLMNASMN1; SMN2NPC1
SCHEMBL8949663 0.82 GCGR (0.61) GCGRDHODHLMNAFABP3FABP4
SCHEMBL5102048 0.82 GCGR (0.70) GCGRDHODHLMNASMN1; SMN2NPC1
SCHEMBL5101592 0.81 GCGR (0.57) GCGRDHODHLMNAFABP3FABP4
SCHEMBL9744532 0.81 GCGR (0.63) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL5095179 0.79 GCGR (0.57) GCGRDHODHLMNASMN1; SMN2NPC1
SCHEMBL2651071 0.79 GCGR (0.56) GCGRFABP3FABP4FABP5

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-5145857-A HMG-COA REDUCTASE-INHIBITING SUBSTITUTED AMINO-PYRIDINES BAYER AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed