SCHEMBL9493032

SCHEMBL9493032

CCCCCCCCc1ccc(-c2ccc(-c3cccc(F)c3F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.51
RARA P10276 2/20 0.51
RARG P13631 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD11B1 P28845 3/20 0.46
PLK1 P53350 1/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45

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
SCHEMBL9495390 1.00 RARB (0.51) RARBRARARARGHDAC3HDAC1
SCHEMBL9493897 1.00 RARB (0.51) RARBRARARARGHDAC3HDAC1
SCHEMBL9493350 1.00 RARB (0.51) RARBRARARARGHDAC3HDAC1
SCHEMBL9493588 1.00 RARB (0.51) RARBRARARARGHDAC3HDAC1
SCHEMBL9493571 1.00 RARB (0.51) RARBRARARARGHDAC3HDAC1
SCHEMBL9563877 1.00 RARB (0.51) RARBRARARARGHDAC3HDAC1
SCHEMBL9563803 1.00 RARB (0.51) RARBRARARARGHDAC3HDAC1
SCHEMBL9497766 0.98 RARB (0.52) RARBRARARARGHDAC3HDAC1
SCHEMBL9496656 0.98 RARB (0.52) RARBRARARARGHDAC3HDAC1
SCHEMBL7790562 0.98 RARB (0.52) RARBRARARARGHDAC3HDAC1

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
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed