SCHEMBL7769248

SCHEMBL7769248

COc1ccc2ccc(CP(c3ccccc3)c3ccccc3)cc2c1-c1c(OC)ccc2ccc(CP(c3ccccc3)c3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
NQO1 P15559 1/20 0.41
TTR P02766 1/20 0.38
CETP P11597 1/20 0.37
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
PDE10A Q9Y233 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
PLAU P00749 1/20 0.34

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
SCHEMBL381509 0.76 LTA4H (0.57)
SCHEMBL6677360 0.74 CYP1A2 (0.50) KMT2A
SCHEMBL7775442 0.73 MAPT (0.52) MAPTNQO1CETPKMT2AMEN1
SCHEMBL7773470 0.73 MAPT (0.52) MAPTNQO1TTRCETPPOLB
SCHEMBL12770651 0.72 PTGS2 (0.48) MAPTLMNASMN1; SMN2
SCHEMBL4827020 0.72 CYP3A4 (0.43)
SCHEMBL7773493 0.71 ALOX5 (0.58) MAPTKMT2AMEN1LMNAPLAU
SCHEMBL10546824 0.70 LTA4H (0.57) MAPTSMN1; SMN2
SCHEMBL7809875 0.69 MAPT (0.47) MAPTNQO1KMT2AMEN1LMNA
SCHEMBL4899610 0.69 HTR7 (0.39) KMT2AMEN1

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
EP-0839818-B1 Optically active diphosphines, transition metal complex containing the same, and process for producing an optically active compound using the complex TAKASAGO PERFUMERY CO LTD (JP) 2001-08-16 EP disclosed
US-5789609-A CATALYST FOR ASSYMETRIC SYNTHESIS, REACTION OF AN A-CYANO ESTER AND A VINYL KETONE TO PRODUCE AN OXO CYANO ESTER TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-08-04 US disclosed
EP-0839818-A1 Optically active diphosphine, transition metal complex containing the same, and process for producing optically active compound using the complex Takasago International Corporation (JP) 1998-05-06 EP disclosed