SCHEMBL8896718

SCHEMBL8896718

COC(=O)CCc1ccc(C(=O)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 4/20 0.57
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.51
SRD5A2 P31213 2/20 0.51
KMT2A Q03164 2/20 0.51
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
STS P08842 1/20 0.48

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
SCHEMBL8896857 0.91 TDP1 (0.55) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL8896109 0.90 DPP4 (0.55) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL7071029 0.85 CYP4F2 (0.59) NPC1RAB9AMAPTALDH1A1LMNA
Methyl 3-Phenylpropanoate SCHEMBL168711 0.85 TDP1 (0.68) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL8895649 0.84 NPC1 (0.66) NPC1RAB9AMAPTALDH1A1LMNA
Methyl 3-Phenylpropanoate SCHEMBL27315471 0.84 TDP1 (0.66) NPC1RAB9AMAPTALDH1A1KDM4E
Methyl 3-Phenylpropanoate SCHEMBL1893702 0.84 TDP1 (0.66) NPC1RAB9AMAPTALDH1A1KDM4E
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.84 TDP1 (0.66) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL11629832 0.83 SRD5A2 (0.56) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL7071088 0.82 FFAR1 (0.69) NPC1RAB9AMAPTL3MBTL1TDP1

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