SCHEMBL8895649

SCHEMBL8895649

COC(=O)CCCc1ccc(C(=O)CCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
TDP1 Q9NUW8 3/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
MAPT P10636 1/20 0.56
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
RECQL P46063 1/20 0.54
DPP4 P27487 1/20 0.54
ALDH1A1 P00352 1/20 0.52
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
LMNA P02545 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL8896007 0.95 TDP1 (0.68) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL9231878 0.93 DPP4 (0.64) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL8898170 0.92 DPP4 (0.62) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL8896857 0.90 TDP1 (0.55) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL10651358 0.90 NPC1 (0.59) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL162806 0.87 HDAC1 (0.62) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL9231881 0.86 HDAC1 (0.60) NPC1RAB9ATDP1CASP3SENP8
Phosphine SCHEMBL27480219 0.86 HDAC1 (0.60) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL8896109 0.86 DPP4 (0.55) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL16091085 0.85 TDP1 (0.51) NPC1RAB9ATDP1CASP3SENP8

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
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed