SCHEMBL8537816

SCHEMBL8537816

COCC1(COC)Oc2ccc(C#N)cc2[C@@H](Nc2ccc(=O)n(Cc3ccccc3)n2)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.45
ABCC9 O60706 5/20 0.44
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8535230 0.90 ABCC9 (0.42) ABCB1ABCC9
SCHEMBL8537349 0.89 ABCC9 (0.41) ABCB1ABCC9
SCHEMBL8538172 0.89 ABCB1 (0.42) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8535817 0.89 ABCC9 (0.41) ABCB1ABCC9
SCHEMBL8536345 0.88 ABCC9 (0.40) ABCB1ABCC9CYP3A4
SCHEMBL8538266 0.88 ABCC9 (0.40) ABCB1ABCC9
SCHEMBL9472103 0.88 ABCB1 (0.59) ABCB1ABCC9
SCHEMBL8537101 0.87 ABCB1 (0.41) ABCB1ABCC9
SCHEMBL8539533 0.87 ABCC9 (0.40) ABCB1ABCC9
SCHEMBL8540466 0.87 ABCC9 (0.40) ABCB1ABCC9

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-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP claimed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed