SCHEMBL9687342

SCHEMBL9687342

COc1ccc(CP(=O)(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
APLNR P35414 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CMA1 P23946 1/20 0.48
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HTT P42858 2/20 0.47
AOC3 Q16853 1/20 0.47
LDHA P00338 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 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
SCHEMBL11123144 0.83 ANPEP (0.49) IDO1CA12CA1CA2CA7
SCHEMBL914654 0.83 ANPEP (0.53) IDO1HTTLDHAF2RL1
SCHEMBL12218512 0.83 IDO1 (0.48) IDO1APLNRCA12CA1CA2
SCHEMBL9486229 0.83 CMA1 (0.50) IDO1APLNRCA12CA1CA2
Butane SCHEMBL3373014 0.78 ENPP2 (0.54) IDO1HTTLDHAF2RL1
SCHEMBL914036 0.78 IDO1 (0.44) IDO1CA12CA1CA2CA7
SCHEMBL126802 0.78 ENPP2 (0.46) HTTLDHA
SCHEMBL5130903 0.77 MEN1 (0.59) LTA4HHTTALDH1A1SMN1; SMN2TP53
SCHEMBL914509 0.77 ANPEP (0.44) IDO1HTTLDHAALDH1A1SMN1; SMN2
SCHEMBL12467622 0.77 LDHA (0.47) IDO1HTTLDHAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4528403-A Hydroformylation process for preparation of aldehydes and alcohols MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-07-09 US claimed
EP-0272608-B1 PROCESS FOR THE HYDROFORMYLATION OF AN OLEFIN MITSUBISHI KASEI CORPORATION (JP) 1992-03-04 EP disclosed
US-4822917-A USING CATALYST OF RHODIUM COMPOUND AND TRIVALENT PHOSPHORUS COMPOUND MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-04-18 US disclosed
EP-0272608-A1 Process for the hydroformylation of an olefin MITSUBISHI KASEI CORPORATION (JP) 1988-06-29 EP disclosed
US-4528403-A Hydroformylation process for preparation of aldehydes and alcohols MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-07-09 US disclosed