SCHEMBL9180331

SCHEMBL9180331

COC(=O)c1ccccc1NC(=O)c1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.72
PRTN3 P24158 3/20 0.72
TSHR P16473 6/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C19 P33261 1/20 0.70
APOBEC3A P31941 1/20 0.64
APOBEC3G Q9HC16 1/20 0.64
HPGD P15428 2/20 0.62
MAPK10 P53779 1/20 0.62
KDM4E B2RXH2 5/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPT P10636 5/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
GAA P10253 2/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 3/20 0.57
ALDH1A1 P00352 3/20 0.56

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
SCHEMBL6108092 0.87 TSHR (0.72) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL9183126 0.87 ELANE (0.74) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL11665959 0.85 TSHR (0.77) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL9339256 0.84 TSHR (0.76) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL4203434 0.84 TSHR (0.76) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL11045073 0.82 F10 (0.77) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL4459274 0.82 TSHR (1.00) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL22445033 0.82 TSHR (0.74) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL29378181 0.82 TSHR (1.00) ELANEPRTN3TSHRCYP1A2CYP2D6
SCHEMBL6242064 0.82 TSHR (0.80) ELANEPRTN3TSHRCYP1A2CYP2D6

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-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US disclosed