SCHEMBL5745970

SCHEMBL5745970

COc1ccc([C@H](O)P(=O)(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.62
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
ALOX15 P16050 1/20 0.54
GRM8 O00222 1/20 0.54
GRM6 O15303 1/20 0.54
GRM4 Q14833 1/20 0.54
PGK1 P00558 2/20 0.53
PGK2 P07205 2/20 0.53
CA12 O43570 1/20 0.47
MMP2 P08253 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 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
SCHEMBL5746245 1.00 ACP3 (0.62) ACP3ALDH1A1TSHRALOX15GRM8
SCHEMBL11087848 1.00 ACP3 (0.62) ACP3ALDH1A1TSHRALOX15GRM8
SCHEMBL11208020 0.82 PGK1 (0.71) ACP3PGK1PGK2
SCHEMBL9007811 0.82 ACACB (0.52) ACP3ALDH1A1TSHRPGK1PGK2
SCHEMBL20831093 0.81 PGK1 (0.50) ACP3PGK1PGK2MMP2
SCHEMBL9007806 0.79 PGK1 (0.57) ACP3ALDH1A1TSHRPGK1PGK2
SCHEMBL6327854 0.78 ACP3 (0.61) ACP3ALDH1A1TSHRALOX15GRM8
SCHEMBL10343791 0.78 ACP3 (0.55) ACP3CA12MMP2CA9CA14
SCHEMBL5746379 0.77 ACP3 (0.54) ACP3ALDH1A1TSHRALOX15GRM8
SCHEMBL5746376 0.77 ACP3 (0.54) ACP3ALDH1A1TSHRALOX15GRM8

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-0826652-B1 PROCESS FOR PREPARING ASYMMETRIC COMPOUND BY USING METAL COMPLEX NAGASE & CO LTD (JP) 2006-09-06 EP disclosed
US-6090969-A REACTING AN OPTICALLY ACTIVE BINAPHTHOL WITH AN ALKALI METAL ALUMINUM HYDRIDE OR A DIALKYLALUMINUM HYDRIDE AND AN ALKALI OR ALKALINE EARTH METAL BASE NAGASE AND CO., LTD. (JP) 2000-07-18 US disclosed
US-5847186-A Process for preparing asymmetric compound by using metal complex NAGASE & COMPANY, LTD. (JP) 1998-12-08 US disclosed
EP-0826652-A1 PROCESS FOR PREPARING ASYMMETRIC COMPOUND BY USING METAL COMPLEX NAGASE & COMPANY, LTD. (JP) 1998-03-04 EP disclosed