SCHEMBL9715823

SCHEMBL9715823

COc1ccc(C)cc1P(c1cc(C)ccc1OC)c1cc(C)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 5/20 0.44
GAA P10253 3/20 0.44
USP2 O75604 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
TSHR P16473 3/20 0.41

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
SCHEMBL1833359 0.82 ACHE (0.60) ACHEALDH1A1CYP3A4L3MBTL1KMT2A
SCHEMBL30680643 0.79 ACHE (0.52) ACHEALDH1A1CYP3A4L3MBTL1KMT2A
SCHEMBL2325597 0.79 ACHE (0.52) ACHEALDH1A1CYP3A4L3MBTL1KMT2A
SCHEMBL9715789 0.77 CA12 (0.60) ALDH1A1CYP3A4L3MBTL1KMT2AGAA
SCHEMBL29617571 0.76 ALDH1A1 (0.45) ALDH1A1CYP3A4L3MBTL1KMT2AMEN1
SCHEMBL16795954 0.76 ALDH1A1 (0.45) ALDH1A1CYP3A4L3MBTL1KMT2AMEN1
SCHEMBL29403877 0.75 ACHE (1.00) ACHEALDH1A1CYP3A4L3MBTL1KMT2A
SCHEMBL12518 0.75 ACHE (1.00) ACHEALDH1A1CYP3A4L3MBTL1KMT2A
SCHEMBL17529814 0.75 ACHE (0.42) ACHEALDH1A1CYP3A4L3MBTL1KMT2A
SCHEMBL17529679 0.75 ACHE (0.42) ACHEALDH1A1CYP3A4L3MBTL1KMT2A

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-0286196-B1 PREPARATION OF SUBSTITUTED DIARYL PHOSPHIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-25 EP disclosed
EP-0286196-A2 Preparation of substituted diaryl phosphides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-10-12 EP disclosed