SCHEMBL21795112

SCHEMBL21795112

Cc1cccc2oc3c(-c4cc(Cl)cc(-c5ccccc5)c4)cccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GABRG1 Q8N1C3 1/20 0.36
▸ GABRG3 Q99928 1/20 0.36
▸ GABRQ Q9UN88 1/20 0.36
▸ PRKDC P78527 1/20 0.35
▸ MAOA P21397 1/20 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
SCHEMBL17252629 0.88 ALOX5 (0.47) ALOX5PRKDCMAOAMAOBADORA3
SCHEMBL21795206 0.85 ALOX5 (0.54) AHRALOX5GABRPGABRDGABRA1
SCHEMBL16261659 0.85 ALOX5 (0.44) ALOX5PRKDCMAOAMAOBADORA3
SCHEMBL24601877 0.82 AHR (0.49) AHRALOX5PRKDCGGPS1MEN1
SCHEMBL26639965 0.81 PRKDC (0.41) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL30657619 0.81 PRKDC (0.41) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL26444601 0.79 ALOX5 (0.49) ALOX5PRKDCGGPS1KDM4EALDH1A1
SCHEMBL17974231 0.77 ALOX5 (0.60) AHRALOX5GABRPGABRDGABRA1
SCHEMBL1687976 0.77 ALOX5 (0.60) AHRALOX5GABRPGABRDGABRA1
SCHEMBL19011063 0.77 ALOX5 (0.54) AHRALOX5GABRPGABRDGABRA1

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
WO-2020045831-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-03-05 — — WO disclosed
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