SCHEMBL8676994

SCHEMBL8676994

Cc1c(OCCCCCc2ccccc2)ccc(C(=O)NC(CCOc2ccccc2)C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
FFAR1 O14842 1/20 0.41
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
PLA2G4B P0C869 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8678794 0.99 GRM2 (0.47) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL8678028 0.96 GRM2 (0.45) GRM2ITGB3ITGA2BFFAR1S1PR1
SCHEMBL8679817 0.93 GRM2 (0.43) GRM2ITGB3FFAR1PTGESALOX5
SCHEMBL8676560 0.85 FNTA (0.41) ITGB1ITGA4
SCHEMBL8676384 0.83 GPR132 (0.43)
SCHEMBL8679794 0.82 PPARG (0.43) GRM2PPARG
SCHEMBL8679534 0.82 PTPN1 (0.46) ITGB3PPARGITGB1MEN1KMT2A
SCHEMBL8675834 0.81 FNTA (0.41) GRM2ITGB3PTGESALOX5PPARG
SCHEMBL8678019 0.81 PPARG (0.45) GRM2PPARG
SCHEMBL8677140 0.81 SRD5A2 (0.45) GRM2ITGB3ITGA2BPPARG

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-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed