SCHEMBL8440908

SCHEMBL8440908

CCOC(=O)CCCNC1c2cc3nonc3cc2OC(C)(C)C1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.38
▸ TOP2A P11388 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ MLYCD O95822 1/20 0.32
▸ ABCC9 O60706 1/20 0.32

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
SCHEMBL10913212 0.79 MAPT (0.52) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL10913217 0.79 MAPT (0.52) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL10913222 0.79 MAPT (0.52) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL8443291 0.74 ABCC9 (0.41) ABCC9
SCHEMBL2009843 0.73 IDO1 (0.40) ABCB1IDO1ABCC9
Hydrochloric Acid SCHEMBL2883645 0.72 IDO1 (0.39) ABCB1IDO1ABCC9
SCHEMBL9589780 0.71 ABCC9 (0.35) ABCB1ABCC9
SCHEMBL9591149 0.69 ABCC9 (0.35) ABCB1ABCC9
SCHEMBL9685744 0.67 KCNA5 (0.42) SMN1; SMN2MAPTABCC9
SCHEMBL9685762 0.67 KCNA5 (0.42) SMN1; SMN2MAPTABCC9

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-5919806-A 8-AMINOPYRANO(2.3-F)BENZO-OXADIAZOLES, THIADIAZOLES AND TRIAZOLES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-06 — — US disclosed
EP-0693283-A1 HEART FAILURE REMEDY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 — — EP disclosed
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