SCHEMBL22078956

SCHEMBL22078956

Cc1ccc(C(=O)c2ccc(O)cc2C)c(S)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FLT3 P36888 1/20 0.40
HSD17B1 P14061 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.38
CSNK2A1 P68400 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL764844 0.85 SMN1; SMN2 (0.50) KMT2ANPC1HTTSMN1; SMN2HSD17B1
SCHEMBL5709905 0.81 KMT2A (0.53) KMT2ANPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL29499836 0.81 KMT2A (0.53) KMT2ANPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL31369141 0.79 LMNA (0.50) KMT2ANPC1HTTSMN1; SMN2MEN1
SCHEMBL286054 0.79 LMNA (0.50) KMT2ANPC1HTTSMN1; SMN2MEN1
SCHEMBL13557813 0.78 ALDH1A1 (0.57) KMT2ANPC1HTTSMN1; SMN2MEN1
SCHEMBL9544691 0.77 HTT (0.56) KMT2ANPC1HTTSMN1; SMN2MEN1
SCHEMBL1758224 0.76 HTT (0.60) KMT2ANPC1HTTSMN1; SMN2HSD17B1
SCHEMBL30355061 0.76 HTT (0.60) KMT2ANPC1HTTSMN1; SMN2HSD17B1
SCHEMBL11019202 0.75 MAPK13 (0.48) KMT2ANPC1HTTSMN1; SMN2HSD17B1

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
EP-3352998-B1 USE OF AN ESTERIFIED AROMATIC POLYPHENOL DERIVATIVE FOR THE PRODUCTION OF A PHENOL-ALDEHYDE RESIN FOR REINFORCEMENT OF A RUBBER COMPOSITION MICHELIN & CIE (FR) 2020-06-10 EP disclosed