SCHEMBL11132798

SCHEMBL11132798

CCCCCC(=O)Nc1cccc(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.63
LMNA P02545 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 1/20 0.59
NLRP3 Q96P20 1/20 0.59
POLB P06746 2/20 0.59
EPHX2 P34913 1/20 0.57
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
SOAT2 O75908 1/20 0.57

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
SCHEMBL21234556 0.98 HDAC4 (0.65) HDAC4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL8388528 0.98 HDAC4 (0.65) HDAC4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL8741843 0.98 HDAC4 (0.65) HDAC4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL28732582 0.98 HDAC4 (0.65) HDAC4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL13263766 0.95 KDM4E (0.65) HDAC4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL439465 0.92 HDAC4 (0.71) HDAC4NLRP3POLBHDAC3HDAC1
SCHEMBL11901010 0.90 LMNA (0.69) HDAC4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2885788 0.89 NLRP3 (0.64) HDAC4NLRP3ALDH1A1CYP1A2
SCHEMBL441932 0.89 HDAC4 (0.67) HDAC4NLRP3POLBHDAC3HDAC1
SCHEMBL3630984 0.87 CNR1 (0.73) EPHX2SOAT2SOAT1ALDH1A1CYP1A2

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
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 US disclosed