SCHEMBL7276950

SCHEMBL7276950

OCC(CO)Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 1/20 0.48
ACP3 P15309 1/20 0.47
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRB2 P07550 2/20 0.41
MMP9 P14780 1/20 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
SCHEMBL9395129 0.81 CTNNB1 (0.54) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL1193153 0.81 CTNNB1 (0.50) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL27456521 0.80 CYP1A2 (0.50) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL10390355 0.80 CTNNB1 (0.47) CTNNB1TDP1CYP1A2ACP3HPGD
Naphthalen-1-Yl-Methanol SCHEMBL28403 0.78 CYP1A2 (0.60) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL7394253 0.78 CTNNB1 (0.54) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL7287691 0.77 CTNNB1 (0.58) CTNNB1TDP1CYP1A2ACP3MEN1
SCHEMBL7268294 0.77 CTNNB1 (0.58) CTNNB1TDP1CYP1A2ACP3MEN1
SCHEMBL7267021 0.77 CTNNB1 (0.58) CTNNB1TDP1CYP1A2ACP3MEN1
SCHEMBL10778471 0.77 ACP3 (0.62) CTNNB1TDP1CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507278-A2 Immobilised biocatalyser, its preparation and use for ester synthesis in a column reactor HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-07 EP claimed
EP-0727494-B1 Method for the enzymatic acylation of alcohols with alkoxyvinylacetates through transesterification HOECHST AG (DE) 1998-09-30 EP disclosed
US-5756321-A Process for enzymatic acylation of alcohols with alkoxyvinyl acetates by transesterification HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
EP-0727494-A1 Method for the enzymatic acylation of alcohols with alkoxyvinylacetates through transesterification HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-21 EP disclosed
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0507278-A2 Immobilised biocatalyser, its preparation and use for ester synthesis in a column reactor HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-07 EP disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed
EP-0173041-B1 2-SUBSTITUTED-1,3-PROPYLIDENEDIPHOSPHONATE DERIVATIVES, THE PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1988-11-30 EP disclosed
US-4696920-A CARDIOVASCULAR DISORDERS SYMPHAR S.A. (CH) 1987-09-29 US disclosed
EP-0173041-A1 2-Substituted-1,3-propylidenediphosphonate derivatives, the process for their preparation and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1986-03-05 EP disclosed