SCHEMBL11828887

SCHEMBL11828887

CCCCN(c1ccccc1)C(CC)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36

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
SCHEMBL11830975 0.91 TP53 (0.41) NPC1JAK2RAB9APAX8TP53
SCHEMBL11826484 0.85 ALDH1A1 (0.43) TP53ALDH1A1MAPTKCNH2
SCHEMBL10993844 0.84 ALDH1A1 (0.41) NPC1JAK2RAB9APAX8TP53
SCHEMBL11819574 0.81 CRHBP (0.48) NPC1RAB9APAX8ALDH1A1LMNA
SCHEMBL9971662 0.80 ALDH1A1 (0.39) NPC1JAK2RAB9APAX8TP53
SCHEMBL11829272 0.78 TP53 (0.40) NPC1JAK2RAB9APAX8TP53
SCHEMBL11836303 0.78 NPC1 (0.38) NPC1JAK2RAB9APAX8TP53
SCHEMBL11821127 0.77 KCNH2 (0.45) NPC1RAB9ATP53ALDH1A1KCNH2
SCHEMBL11822816 0.77 TP53 (0.45) NPC1JAK2RAB9APAX8TP53
SCHEMBL11834659 0.77 ALDH1A1 (0.41) TP53ALDH1A1MAPTKCNH2

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-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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