SCHEMBL20124876

SCHEMBL20124876

C=C(C1=CC=C(C)CC1)c1ccoc1CCC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 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
SCHEMBL11853552 0.69 CYP2C19 (0.37) CYP2C19
SCHEMBL11528640 0.67 THRB (0.47) CYP2C19
SCHEMBL12948213 0.65 ALDH1A1 (0.37) CYP2C19
SCHEMBL28327621 0.62 HSD17B10 (0.46) CYP2C19
SCHEMBL11853562 0.62 ALDH1A1 (0.35) CYP2C19
SCHEMBL23067733 0.62 LMNA (0.32)
SCHEMBL12428880 0.62
SCHEMBL22909380 0.61
SCHEMBL24835551 0.61 ALDH1A1 (0.32)
SCHEMBL21574648 0.60 CYP19A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173418-B1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME IND TECH RES INST (TW) 2018-05-09 EP disclosed