SCHEMBL9824982

SCHEMBL9824982

O=C(NC1CCCCCCCCCCC1)C1CCCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
CYP3A4 P08684 1/20 0.48
EPHX2 P34913 1/20 0.48
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN4A P35499 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PRCP P42785 1/20 0.41
MMP2 P08253 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL5157107 0.96 EPHX1 (0.48) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17676973 0.96 EPHX1 (0.48) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7265700 0.96 EPHX1 (0.48) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9825084 0.96 EPHX1 (0.48) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3328076 0.94 SCN4A (0.44) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3669478 0.94 SCN4A (0.47) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17676964 0.94 SCN4A (0.47) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3333289 0.94 SCN4A (0.47) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3332574 0.94 SCN4A (0.44) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3266403 0.92 SCN4A (0.46) EPHX1NPC1RAB9ASMN1; SMN2KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305492-A4 PHOSPHOLIPASE A 2? INHIBITORS 1991-09-04 EP claimed
EP-0305492-A1 PHOSPHOLIPASE A 2? INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-03-08 EP claimed
US-4792555-A DESENSITIZERS; ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-12-20 US claimed
WO-1988006885-A1 PHOSPHOLIPASE A2 INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-22 WO claimed
EP-0305492-A4 PHOSPHOLIPASE A 2? INHIBITORS 1991-09-04 EP disclosed
EP-0305492-A1 PHOSPHOLIPASE A 2? INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-03-08 EP disclosed
US-4792555-A DESENSITIZERS; ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-12-20 US disclosed
WO-1988006885-A1 PHOSPHOLIPASE A2 INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-22 WO disclosed