SCHEMBL10364064

SCHEMBL10364064

C=CC(=O)NCCCCOc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.68
▸ MAPT P10636 8/20 0.52
▸ HPGD P15428 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ POLB P06746 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL10808998 0.90 RAB9A (0.53) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL10364150 0.87 RAB9A (0.51) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10364059 0.86 RAB9A (0.53) RAB9AMAPTLMNAKMT2AALDH1A1
SCHEMBL10363741 0.86 RAB9A (0.50) RAB9AMAPTLMNASMN1; SMN2KMT2A
SCHEMBL10803038 0.85 RAB9A (0.49) RAB9AMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL10363305 0.85 RAB9A (0.52) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL10362575 0.85 RAB9A (0.48) RAB9AMAPTKMT2AALDH1A1CYP1A2
SCHEMBL10362336 0.85 RAB9A (0.48) RAB9AMAPTKMT2AALDH1A1POLB
SCHEMBL10362308 0.85 RAB9A (0.47) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL10362502 0.83 MAPK1 (0.58) RAB9AMAPTHPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0155177-B1 UNSATURATED CYCLIC AMIDO-SUBSTITUTED ETHER COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-31 — — EP disclosed
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
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