SCHEMBL11396201

SCHEMBL11396201

Cc1ccc(C(=O)C[C]=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 1/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL3591477 0.83 CES2 (0.50) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL13622409 0.79 LMNA (0.56) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL28310232 0.79 MAPT (0.46) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL3899593 0.78 HTT (0.52) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL3641682 0.78 GSK3B (0.57) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL7701905 0.78 ALDH1A1 (0.53) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL1726590 0.76 GSK3B (0.61) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL3269069 0.76 HTT (0.50) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL30187429 0.76 GSK3B (0.61) KMT2AMEN1HTTSMN1; SMN2CES2
SCHEMBL8424293 0.76 GSK3B (0.52) KMT2AMEN1HTTSMN1; SMN2CES2

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-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed
WO-1980000964-A1 ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES AMERICAN CYANAMID CO (US) 1980-05-15 WO disclosed