SCHEMBL17932015

SCHEMBL17932015

c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4cc(-c6cccc7c6oc6c8ccccc8ccc76)ccc45)c4ccccc34)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.44
CYP1B1 Q16678 8/20 0.44
PRKDC P78527 3/20 0.41
ALOX5 P09917 1/20 0.37
ARSA P15289 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25C P30307 1/20 0.37
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
CYP1A2 P05177 7/20 0.36
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL17944303 0.93 CYP1A1 (0.40) CYP1A1CYP1B1PRKDCALOX5ARSA
SCHEMBL17943947 0.93 ALOX5 (0.37) CYP1A1CYP1B1PRKDCALOX5ARSA
SCHEMBL17944045 0.89 CYP1A1 (0.49) CYP1A1CYP1B1PRKDCALOX5ARSA
SCHEMBL17944494 0.87 CYP1A1 (0.50) CYP1A1CYP1B1PRKDCARSACDC25A
SCHEMBL19080217 0.87 CYP1A1 (0.36) CYP1A1CYP1B1PRKDCARSACDC25A
SCHEMBL17931976 0.86 CYP1A1 (0.46) CYP1A1CYP1B1PRKDCALOX5ARSA
SCHEMBL17945172 0.86 CYP1A1 (0.46) CYP1A1CYP1B1PRKDCALOX5ARSA
SCHEMBL17944004 0.86 CYP1A1 (0.51) CYP1A1CYP1B1PRKDCARSACDC25A
SCHEMBL19081804 0.85 CYP1A1 (0.46) CYP1A1CYP1B1PRKDCCYP1A2ABCB1
SCHEMBL19080197 0.84 CYP1A1 (0.41) CYP1A1CYP1B1PRKDCARSACDC25A

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-3048654-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-07-27 EP disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed