SCHEMBL17030608

SCHEMBL17030608

ClCc1cc(Cl)c2c(c1)CCCO2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.46
▸ AXL P30530 1/20 0.30
▸ MERTK Q12866 1/20 0.30

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
SCHEMBL23505785 0.79 NOTUM (0.49) NOTUM
SCHEMBL11119325 0.76 NOTUM (0.47) NOTUM
SCHEMBL17348468 0.76 NOTUM (0.47) NOTUM
SCHEMBL8363222 0.73 HTR2A (0.36) NOTUM
SCHEMBL10748419 0.72 NOTUM (0.47) NOTUM
SCHEMBL24127095 0.72 NOTUM (0.44) NOTUM
SCHEMBL12407085 0.72 NOTUM (0.44) NOTUM
SCHEMBL14403556 0.71 CTNNB1 (0.46) NOTUMAXLMERTK
SCHEMBL12345221 0.71 PARP1 (0.39) —
SCHEMBL17633587 0.71 PARP1 (0.33) —

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
EP-2674428-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2016-04-06 — — EP disclosed
EP-2007756-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-08-26 — — EP disclosed
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