SCHEMBL9782879

SCHEMBL9782879

CC(c1ccccc1)c1c2ccccc2c(CCl)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ VKORC1 Q9BQB6 1/20 0.40
▸ TAAR1 Q96RJ0 4/20 0.35
▸ TYR P14679 1/20 0.33
▸ AOC3 Q16853 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32

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
SCHEMBL419410 0.84 VKORC1 (0.49) VKORC1TAAR1TYRKMT2AMEN1
SCHEMBL9782877 0.75 FFAR1 (0.44) VKORC1ALDH1A1
SCHEMBL187486 0.74 L3MBTL1 (0.67) L3MBTL1TSHRKMT2AMEN1ALDH1A1
SCHEMBL29367505 0.74 L3MBTL1 (0.67) L3MBTL1TSHRKMT2AMEN1ALDH1A1
SCHEMBL10491803 0.73 VKORC1 (0.41) VKORC1TYRTSHRKMT2AMEN1
SCHEMBL5507568 0.73 VKORC1 (0.41) VKORC1TAAR1TYRKMT2AMEN1
SCHEMBL866448 0.71 VKORC1 (0.38) VKORC1TYRKMT2AMEN1
SCHEMBL9782878 0.71 MEN1 (0.44) L3MBTL1VKORC1TYRKMT2AMEN1
SCHEMBL5843477 0.70 KIF11 (0.47) L3MBTL1VKORC1TYRTSHRALDH1A1
SCHEMBL9770025 0.69 VKORC1 (0.41) VKORC1TAAR1TYRKMT2AMEN1

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
US-5049455-A Amphiphilic anthracene derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-09-17 — — US disclosed
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