SCHEMBL9503753

SCHEMBL9503753

COC(=O)C(C)c1ccc(OC)c(C(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 4/20 0.57
CYP2C9 P11712 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 1/20 0.56
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.51
PTGS2 P35354 3/20 0.49
PTGS1 P23219 1/20 0.49
HPGD P15428 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47

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
SCHEMBL5355608 0.80 PTGS2 (0.49) NPSR1ALDH1A1PTGS2PTGS1HPGD
SCHEMBL6375687 0.80 MAPT (0.96) MAPTHTTNPSR1ALDH1A1CYP2C9
SCHEMBL4007061 0.78 MEN1 (0.54) MAPTNPSR1PTGS2PTGS1HPGD
SCHEMBL11576626 0.77 MAPT (0.78) MAPTHTTNPSR1ALDH1A1CYP2C9
SCHEMBL31409467 0.77 CYP2C19 (0.54) NPSR1ALDH1A1CYP2C9PTGS2PTGS1
SCHEMBL5022505 0.77 CYP2C19 (0.54) NPSR1ALDH1A1CYP2C9PTGS2PTGS1
SCHEMBL31083332 0.77 CYP2C19 (0.54) NPSR1ALDH1A1CYP2C9PTGS2PTGS1
SCHEMBL31409463 0.77 CYP2C19 (0.54) NPSR1ALDH1A1CYP2C9PTGS2PTGS1
SCHEMBL12824490 0.75 PTGS2 (0.45) MAPTHTTNPSR1ALDH1A1NPC1
SCHEMBL28139091 0.75 MAPT (0.73) MAPTHTTNPSR1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331073-B1 BENZHYDRYLAMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1993-07-28 EP disclosed
US-5051526-A Reagents for solid phase synthesis of polypeptides CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1991-09-24 US disclosed
US-4965405-A INTERMEDIATE FOR POLYPEPTIDE SYNTHESIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1990-10-23 US disclosed
EP-0331073-A2 Benzhydrylamine derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1989-09-06 EP disclosed