SCHEMBL15470271

SCHEMBL15470271

Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c3oc3ccccc34)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PRKDC P78527 2/20 0.39
GGPS1 O95749 1/20 0.33
AVPR1A P37288 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
PPARG P37231 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 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
SCHEMBL15470304 0.89 ALOX5 (0.40) ALOX5PRKDCGGPS1PTGES2ALDH1A1
SCHEMBL15470164 0.88 PGR (0.33) ALDH1A1LMNAKDM4E
SCHEMBL16547183 0.87 ALOX5 (0.38) ALOX5PRKDCGGPS1
SCHEMBL15470263 0.87 ALOX5 (0.46) ALOX5PRKDCGGPS1PTGES2ALDH1A1
SCHEMBL15470344 0.87 ALOX5 (0.39) ALOX5PRKDCGGPS1
SCHEMBL9917146 0.85 ALOX5 (0.53) ALOX5PRKDCGGPS1PTGES2LMNA
SCHEMBL18542305 0.85 ALOX5 (0.43) ALOX5PRKDCGGPS1AVPR1APTGES2
SCHEMBL16547124 0.84 ALOX5 (0.40) ALOX5PRKDCGGPS1AVPR1APTGES2
SCHEMBL16614011 0.83 ALOX5 (0.43) ALOX5PRKDCGGPS1AVPR1APTGES2
SCHEMBL9917235 0.83 ALOX5 (0.51) ALOX5PRKDCGGPS1AVPR1APTGES2

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-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed