SCHEMBL9427352

SCHEMBL9427352

COc1ccc(CCCNCCCN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc2OCC(C)C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TRPC6 Q9Y210 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RAD52 P43351 1/20 0.39
▸ ADRB2 P07550 2/20 0.38
▸ SMPD1 P17405 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37

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
Oxalic Acid SCHEMBL9427521 0.98 KDM4E (0.41) NPC1RAB9ASMN1; SMN2TRPC6MEN1
SCHEMBL7343184 0.89 KCNH2 (0.49) NPC1RAB9ASMN1; SMN2TRPC6MEN1
SCHEMBL7370495 0.88 MAPK14 (0.42) NPC1RAB9ASMN1; SMN2TRPC6MEN1
Oxalic Acid SCHEMBL9427500 0.87 KDM4E (0.47) SMN1; SMN2TRPC6MEN1KMT2ASMPD1
Fumaric Acid SCHEMBL9427555 0.85 MAPK14 (0.40) NPC1RAB9ASMN1; SMN2TRPC6MEN1
Fumaric Acid SCHEMBL9427564 0.85 MAPK14 (0.40) NPC1RAB9ASMN1; SMN2TRPC6MEN1
SCHEMBL9803091 0.82 KDM4E (0.46) SMN1; SMN2ADRB2MAPK14LMNAADRB1
SCHEMBL7341049 0.82 MAPK14 (0.43) NPC1RAB9ASMN1; SMN2TRPC6MEN1
SCHEMBL7343376 0.82 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2TRPC6MEN1
Oxalic Acid SCHEMBL9803165 0.81 KDM4E (0.49) SMN1; SMN2MEN1KMT2AADRB2MAPK14

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-5373023-A Antiischaemic agent SYNTHELABO (FR) 1994-12-13 — — US disclosed
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