SCHEMBL9497150

SCHEMBL9497150

CCCCCCCCCCCCOc1ccc(-c2cccc(F)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RARB P10826 3/20 0.48
LTA4H P09960 1/20 0.47
FAAH O00519 6/20 0.46
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLA2G4B P0C869 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL9493967 1.00 NR5A1 (0.49) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9406027 1.00 NR5A1 (0.49) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9494757 1.00 NR5A1 (0.49) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL10536207 1.00 NR5A1 (0.49) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6656815 1.00 NR5A1 (0.49) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9494859 1.00 NR5A1 (0.49) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9494796 0.99 RARB (0.50) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9497267 0.99 RARB (0.50) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9496521 0.98 HDAC3 (0.49) NR5A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9496116 0.97 HDAC3 (0.48) NR5A1HDAC3HDAC1HDAC2HDAC8

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