SCHEMBL9503760

SCHEMBL9503760

COC(=O)CCc1ccc(OC)c(C(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HTT P42858 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
POLB P06746 1/20 0.54
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CCR5 P51681 1/20 0.48
F2RL1 P55085 1/20 0.48
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3468096 0.83 F2RL1 (0.63) MAPTNPSR1ALDH1A1RXFP1POLB
SCHEMBL9322885 0.82 NPC1 (0.56) MAPTHTTNPSR1ALDH1A1CYP2C9
SCHEMBL16516703 0.81 MAPT (0.47) MAPTHTTNPSR1ALDH1A1CYP2C9
SCHEMBL5355607 0.81 MRGPRX4 (0.51) MEN1KMT2A
SCHEMBL6375687 0.79 MAPT (0.96) MAPTHTTNPSR1ALDH1A1CYP2C9
SCHEMBL1445627 0.79 F2RL1 (0.73) MAPTHTTALDH1A1POLBNPC1
SCHEMBL31432825 0.79 ALOX5 (0.47) MEN1KMT2A
SCHEMBL3940302 0.77 KMT2A (0.59) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL11136744 0.76 MAPT (0.50) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL30175027 0.76 KMT2A (0.53) MAPTHTTNPSR1POLBMEN1

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