SCHEMBL8971461

SCHEMBL8971461

CCOC(=O)CC(CS(=O)(=O)c1ccccc1)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
CYP4Z1 Q86W10 2/20 0.39
HSD11B1 P28845 1/20 0.39
PLA2G2A P14555 2/20 0.38
HDAC1 Q13547 2/20 0.38
MMEL1 Q495T6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP4F11 Q9HBI6 1/20 0.36
CYP4F12 Q9HCS2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL7348963 0.89 ITGB3 (0.50) ITGB3ITGA2BPLA2G2AHDAC1SMN1; SMN2
SCHEMBL8971449 0.86 ITGB3 (0.57) ITGB3ITGA2BPLA2G2AHDAC1HDAC8
SCHEMBL7351149 0.85 ITGB3 (0.43) ITGB3ITGA2BPLA2G2AALDH1A1KMT2A
SCHEMBL7380956 0.83 CYP4Z1 (0.43) ITGB3ITGA2BCYP4Z1PLA2G2AMMEL1
SCHEMBL7353849 0.82 ITGB3 (0.46) ITGB3ITGA2BPLA2G2AHDAC1ALDH1A1
SCHEMBL7386535 0.81 ITGB3 (0.49) ITGB3ITGA2BCYP4Z1SMN1; SMN2CYP4F11
SCHEMBL7353690 0.81 ITGB3 (0.43) ITGB3ITGA2BPLA2G2AMMEL1KMT2A
SCHEMBL7387879 0.79 KMT2A (0.48) CYP4Z1SMN1; SMN2KMT2A
SCHEMBL7385662 0.79 CYP4Z1 (0.43) ITGB3ITGA2BCYP4Z1SMN1; SMN2CYP4F11
SCHEMBL7386056 0.78 CTSG (0.52) HDAC1ALDH1A1HDAC6

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-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed