SCHEMBL6269801

SCHEMBL6269801

CC(=O)N1c2ccc(CC(=O)O)cc2CC1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
TNF P01375 2/20 0.48
NOD2 Q9HC29 2/20 0.48
NOD1 Q9Y239 2/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKLR P30613 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8567503 0.86 NOTUM (0.59) NOTUMTNFNOD2NOD1ALDH1A1
SCHEMBL6805438 0.85 ALDH1A1 (0.53) NOTUMTNFNOD2NOD1ALDH1A1
SCHEMBL8570195 0.83 NOTUM (0.56) NOTUMTNFNOD2NOD1ALDH1A1
SCHEMBL6287462 0.80 KDM4E (0.39) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL26079156 0.78 NOTUM (0.64) NOTUMTNFNOD2NOD1PKLR
SCHEMBL26072334 0.77 NOTUM (0.52) NOTUMALDH1A1POLBSMN1; SMN2PKLR
SCHEMBL30366343 0.77 MAPK1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL7416927 0.77 NOTUM (0.62) NOTUMTNFNOD2NOD1SMN1; SMN2
SCHEMBL32673424 0.77 NOTUM (0.62) NOTUMTNFNOD2NOD1ALDH1A1
SCHEMBL26071790 0.77 NOTUM (0.62) NOTUMTNFNOD2NOD1PKLR

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-1161418-B1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RES COUNCIL (GB) 2005-12-28 EP disclosed
US-6765014-B1 DRUG DELIVERY OF NEUROACTIVE AMINO ACIDS OR METAL CHELATORS MEDICAL RESEARCH COUNCIL (GB) 2004-07-20 US disclosed