SCHEMBL9719747

SCHEMBL9719747

Cc1cccc(OP(O)O)c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL1159855 0.85 GABRA1 (0.35) GABRA1GABRB2TRPA1ATMMEN1
SCHEMBL28882287 0.83
SCHEMBL1071353 0.81 CA2 (0.42) GABRA1GABRB2ATMGAAALDH1A1
SCHEMBL30580403 0.81 CA2 (0.42) GABRA1GABRB2ATMGAAALDH1A1
SCHEMBL27696419 0.80 CA2 (0.41) GABRA1GABRB2ATMGAAALDH1A1
SCHEMBL10272255 0.76 CA1 (0.44) GABRA1GABRB2ATMMEN1GAA
SCHEMBL1168100 0.76 MAPT (0.46) TRPA1ATMMEN1GAAKMT2A
SCHEMBL2379351 0.76 TSHR (0.43) MEN1KMT2AALDH1A1MAPT
SCHEMBL29769737 0.76 TSHR (0.43) MEN1KMT2AALDH1A1MAPT
SCHEMBL1159810 0.75

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-5106892-A Containing synergistic mixture of organic phosphites AUSIMONT S.P.A. (IT) 1992-04-21 US disclosed