SCHEMBL9406582

SCHEMBL9406582

CCCCc1ccc(-c2ccc(CCc3ccc(OCC)c(F)c3F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.41
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MTOR P42345 1/20 0.36
HSD11B1 P28845 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PPARD Q03181 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
SCHEMBL9405882 0.96 MAPT (0.43) RARBMAPTRAB9AL3MBTL1RARA
SCHEMBL9406238 0.94 HSD17B10 (0.44) RARBMAPTRAB9AL3MBTL1RARA
SCHEMBL9406019 0.94 HSD17B10 (0.44) RARBMAPTRAB9AL3MBTL1RARA
SCHEMBL9406057 0.94 HSD17B10 (0.44) RARBMAPTRAB9AL3MBTL1RARA
SCHEMBL9406154 0.91 GABRA1 (0.40) MAPTL3MBTL1HSD17B10MEN1ALDH1A1
SCHEMBL9406733 0.88 FFAR4 (0.41) MAPTL3MBTL1HSD17B10MEN1ALDH1A1
SCHEMBL12735556 0.88 RARB (0.42) RARBMAPTRAB9AL3MBTL1RARA
SCHEMBL10091369 0.88 RARB (0.42) RARBMAPTRAB9AL3MBTL1RARA
SCHEMBL12740093 0.88 RARB (0.42) RARBMAPTRAB9AL3MBTL1RARA
SCHEMBL20346160 0.87 S1PR1 (0.39) RARBMAPTRAB9AL3MBTL1RARA

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-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed