SCHEMBL11551925

SCHEMBL11551925

CCCOc1ccc(-c2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
PLK1 P53350 1/20 0.58
RARB P10826 4/20 0.58
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
ACACB O00763 2/20 0.49
ACACA Q13085 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.49
PLA2G4B P0C869 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NFKB1 P19838 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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
SCHEMBL5202729 0.95 L3MBTL1 (0.64) L3MBTL1PLK1TP53TSHRMAPT
SCHEMBL9450551 0.90 RARB (0.72) L3MBTL1RARBTP53TSHRPLA2G4B
SCHEMBL9502541 0.89 RARB (0.75) RARBTP53TSHRPLA2G4B
SCHEMBL7766926 0.89 RARB (0.75) RARBTP53TSHRPLA2G4B
SCHEMBL9274539 0.89 RARB (0.75) RARBTP53TSHRPLA2G4B
SCHEMBL7768450 0.89 RARB (0.75) RARBTP53TSHRPLA2G4B
SCHEMBL7767495 0.89 RARB (0.75) RARBTP53TSHRPLA2G4B
SCHEMBL7766930 0.89 RARB (0.75) RARBTP53TSHRPLA2G4B
SCHEMBL641552 0.89 RARB (0.75) RARBTP53TSHRPLA2G4B
SCHEMBL162987 0.87 TP53 (0.64) L3MBTL1RARBTP53TSHRPLA2G4B

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-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-4136053-A BIPHENYL ESTERS AND LIQUID CRYSTALLINE MIXTURES COMPRISING THEM MERCK PATENT GESELLSCHAFT MIT BESCHANKTER HAFTUNG (DE) 1979-01-23 US disclosed
US-4065489-A Biphenyl esters and liquid crystalline mixtures comprising them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-12-27 US disclosed