SCHEMBL13286516

SCHEMBL13286516

Bc1cc2ccc3ccccc3c2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 4/20 0.46
▸ CYP2A6 P11509 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP1A2 P05177 3/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ HIF1A Q16665 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HPRT1 P00492 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL21648456 0.79 ABCG2 (0.44) HSD17B10TSHRTDP1CYP1A2FYN
SCHEMBL13191613 0.77 ALDH1A1 (0.52) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL4847322 0.76 HSD17B10 (0.65) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL15693878 0.76 HPRT1 (0.64) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL535635 0.75 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL29388002 0.75 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL30374792 0.75 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL13445582 0.75 CYP2D6 (0.37) HSD17B10ALDH1A1TSHRCYP1A2ERBB2
SCHEMBL24656655 0.74 CYP2A6 (0.50) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL21657958 0.74 HSD17B10 (0.46) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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
WO-2023146296-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-08-03 — — WO disclosed
EP-2218706-B1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO (JP) 2013-08-21 — — EP disclosed
WO-2010083869-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 — — WO disclosed
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