SCHEMBL7714831

SCHEMBL7714831

CC(C)(CBr)OC(=O)Nc1cccc2cc(O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
TRPV1 Q8NER1 10/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NQO2 P16083 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CASP6 P55212 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
SCHEMBL6101638 0.86 NQO2 (0.51) RXFP1TRPV1GAAPOLBALDH1A1
SCHEMBL7715176 0.82 CASP6 (0.40) TRPV1GAAPOLBALDH1A1HPGD
SCHEMBL487254 0.76 TRPV1 (0.64) TRPV1MEN1KMT2ANQO2KDM4E
SCHEMBL31680675 0.76 TRPV1 (0.64) TRPV1MEN1KMT2ANQO2KDM4E
SCHEMBL25631112 0.74 POLB (0.52) RXFP1TRPV1GAAPOLBALDH1A1
SCHEMBL9156203 0.74 CASP6 (0.64) RXFP1TRPV1GAAPOLBALDH1A1
SCHEMBL11876012 0.73 RXFP1 (0.53) RXFP1TRPV1GAAPOLBALDH1A1
SCHEMBL176305 0.72 RXFP1 (0.54) RXFP1TRPV1GAAPOLBMEN1
SCHEMBL28457710 0.72 TRPV1 (0.53) RXFP1TRPV1GAAPOLBALDH1A1
SCHEMBL3729968 0.72 ALDH1A1 (0.45) RXFP1TRPV1GAAALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed