SCHEMBL19985935

SCHEMBL19985935

c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)cc3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.39
PRKDC P78527 2/20 0.33
ESR2 Q92731 2/20 0.31
ESR1 P03372 1/20 0.31
GGPS1 O95749 1/20 0.31

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
SCHEMBL17246641 0.95 ALOX5 (0.40) ALOX5PRKDCESR2ESR1GGPS1
SCHEMBL19985944 0.90 ALOX5 (0.40) ALOX5PRKDCESR2ESR1GGPS1
SCHEMBL19985976 0.90 BACE1 (0.31) ALOX5PRKDC
SCHEMBL17705528 0.86 ALOX5 (0.43) ALOX5PRKDCESR2ESR1GGPS1
SCHEMBL19986067 0.86 ALOX5 (0.44) ALOX5PRKDCGGPS1
SCHEMBL23961009 0.85 ALOX5 (0.41) ALOX5PRKDCESR2ESR1GGPS1
SCHEMBL23960977 0.85 ALOX5 (0.41) ALOX5PRKDCESR2ESR1GGPS1
SCHEMBL19986082 0.85 ALOX5 (0.40) ALOX5PRKDCESR2ESR1
SCHEMBL22960420 0.85 BACE1 (0.33) ALOX5PRKDC
SCHEMBL19985918 0.84 ESR2 (0.35) ESR2ESR1

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed