SCHEMBL9012154

SCHEMBL9012154

Cc1ccc(C)c(OCC(C)C(O)C(C)(C)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.57
TSHR P16473 6/20 0.53
TDP1 Q9NUW8 3/20 0.53
PPARA Q07869 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TTR P02766 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C8 P10632 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA1A P35348 1/20 0.53
PPARG P37231 1/20 0.53
HTR2B P41595 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
CISD1 Q9NZ45 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.44
ADRB2 P07550 1/20 0.43
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL21991349 0.79 TSHR (0.55) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL9011774 0.77 TSHR (0.61) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL19121175 0.75 TSHR (0.47) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL1158620 0.75 ADRB2 (0.54) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL9248942 0.75 TSHR (0.61) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL23605975 0.75 CYP2C9 (0.54) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL21991995 0.74 SMN1; SMN2 (0.51) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL21992000 0.74 TSHR (0.49) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL9011815 0.74 CYP2C9 (0.50) CYP2C9TSHRTDP1PPARASMN1; SMN2
SCHEMBL9011956 0.74 TSHR (0.60) CYP2C9TSHRTDP1PPARASMN1; SMN2

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-5530145-A ANTICHOLESTEROL AGENTS SYN-TECH CHEM & PHARM CO., LTD. (TW) 1996-06-25 US disclosed