SCHEMBL7327735

SCHEMBL7327735

CCN(CC(=O)O)Cc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
ALOX5 P09917 1/20 0.49
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
HAO1 Q9UJM8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL11308537 0.92 ALOX5 (0.56) RIPK1ALOX5ALDH1A1KDM4EHTT
SCHEMBL27431296 0.83 MAPT (0.56) ALOX5LDHALDHBHAO1ALDH1A1
SCHEMBL2806112 0.82 HTT (0.50) RIPK1ALOX5LDHALDHBHAO1
SCHEMBL1642904 0.82 HTT (0.50) RIPK1ALOX5LDHALDHBHAO1
Ammonia Solution, Strong SCHEMBL23877941 0.81 HTT (0.49) RIPK1ALOX5LDHALDHBHAO1
Nitric Acid SCHEMBL30544994 0.77 RIPK1 (0.46) RIPK1ALOX5LDHALDHBHAO1
SCHEMBL29958592 0.75 KDM4E (0.49) RIPK1ALOX5LDHALDHBHAO1
SCHEMBL8628856 0.75 TRPM8 (0.49) RIPK1ALOX5ALDH1A1POLBMEN1
SCHEMBL14524651 0.75 CA12 (0.48) RIPK1ALOX5ALDH1A1POLBKDM4E
SCHEMBL3573494 0.75 TRPM8 (0.52) ALDH1A1POLBTRPM8TSHRMAPK1

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
US-5221665-A N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1993-06-22 US disclosed
EP-0369391-A2 N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed