SCHEMBL8438968

SCHEMBL8438968

CC1(C)Oc2cc3nonc3cc2C(NCCCC(=O)O)C1O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.37
▸ ABCC9 O60706 5/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ KCNA5 P22460 2/20 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
SCHEMBL12580635 0.74 IDO1 (0.40) ABCB1ABCC9IDO1KCNA5
Hydrochloric Acid SCHEMBL2883645 0.73 IDO1 (0.39) ABCB1ABCC9IDO1
SCHEMBL9029521 0.73 ABCC9 (0.39) ABCB1ABCC9
SCHEMBL9685744 0.72 KCNA5 (0.42) ABCC9KCNA5
SCHEMBL9685762 0.72 KCNA5 (0.42) ABCC9KCNA5
SCHEMBL8442547 0.72 ABCC9 (0.35) ABCC9
SCHEMBL8438211 0.72 ABCC9 (0.36) ABCC9
SCHEMBL9589330 0.72 ABCC9 (0.35) ABCB1ABCC9
SCHEMBL2010363 0.68 ABCB1 (0.47) ABCB1ABCC9IDO1KCNA5
Maleic Acid SCHEMBL2891131 0.68 KCNA5 (0.44) ABCB1ABCC9IDO1KCNA5

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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