SCHEMBL7767495

SCHEMBL7767495

CCCCCCCCCCCOc1ccc(-c2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.75
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
PLA2G4B P0C869 6/20 0.65
PLA2G4A P47712 1/20 0.58
THRA P10827 2/20 0.56
THRB P10828 2/20 0.56
GAA P10253 1/20 0.56
NR5A1 Q13285 1/20 0.56
PTPN11 Q06124 1/20 0.54

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
SCHEMBL9502541 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9274539 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7766926 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7766930 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7768450 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL641552 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9450551 0.98 RARB (0.72) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8728342 0.95 TP53 (0.73) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL4209056 0.95 TP53 (0.73) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9161795 0.95 TP53 (0.73) RARBTP53TSHRPLA2G4BPLA2G4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684246-B1 Optically active tetrahydropyran derivative, liquid crystal composition, and liquid crystal device containing the same KASHIMA OIL (JP) 2001-10-17 EP disclosed
US-5595684-A TETRAHYDROPYRAN DERIVATIVES OF SILANOL WITH FLUOROALKYL GROUPS FOR FERROELECTRIC LIQUID CRYSTALS WITH SPONTANEOUS POLARIZATION KASHIMA OIL COMPANY (JP) 1997-01-21 US disclosed