SCHEMBL10116937

SCHEMBL10116937

CC(C)(O)c1ccccc1-c1cccc2c3c(oc12)CCC=C3

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.35
▸ HTR6 P50406 2/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL24936797 0.82 HTR6 (0.30) HTR6
SCHEMBL17227246 0.81 PRKDC (0.35) PRKDCALOX5MEN1CYP2C19KMT2A
SCHEMBL21784249 0.78 PRKDC (0.39) PRKDCALOX5CYP2C19
SCHEMBL22005386 0.75 ALDH1A1 (0.39) PRKDCMEN1CYP2C19KMT2A
SCHEMBL4554342 0.74 ALOX5 (0.54) PRKDCALOX5MEN1CYP2C19KMT2A
SCHEMBL21913936 0.73 — —
SCHEMBL25704985 0.73 MAOA (0.41) —
SCHEMBL20363573 0.72 CYP2B6 (0.32) ALOX5
SCHEMBL23652322 0.72 PRKDC (0.36) PRKDCCYP2C19
SCHEMBL20363794 0.72 PRKDC (0.34) PRKDCCYP2C19

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-2450975-A2 Compound for organic optoelectronic device and organic light emitting diode including the same Cheil Industries Inc. (KR) 2012-05-09 — — EP disclosed
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