SCHEMBL3343090

SCHEMBL3343090

O=C(O)[C@@H]1O[C@H]1c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.67
TSHR P16473 1/20 0.56
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
SUCNR1 Q9BXA5 1/20 0.43
EDNRA P25101 2/20 0.43
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HDAC4 P56524 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL15307543 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL2533818 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL5089398 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL6689012 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL1692473 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL4071198 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL9458781 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
Ammonia Solution, Strong SCHEMBL6580821 0.98 EPHX1 (0.64) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL5598408 0.86 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL5598863 0.86 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601778-B1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL SCIENT IND RES (IN) 2008-07-02 EP claimed
EP-0821679-B1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE CHIROTECH TECHNOLOGY LTD (GB) 2001-07-11 EP claimed
EP-0602740-B1 Process for the enzymatic preparation of optically active transglycidic acid esters DSM NV (NL) 1999-02-24 EP claimed
US-5684168-A β-phenylisoserine-(2R,3S), salts, preparation and use thereof RHONE-POULENC RORER S.A. (FR) 1997-11-04 US claimed
EP-0528607-B1 Process for preparing optically active 3-phenylglycidic acid esters TANABE SEIYAKU CO (JP) 1997-04-23 EP claimed
EP-0447938-B1 Process for preparing 2-halogeno-3-hydroxy-3-phenyl-propionic acid ester compounds TANABE SEIYAKU CO (JP) 1995-10-18 EP claimed
US-5407828-A Hydrolysis; separation of non-hydrolyzed enantiomorph DSM N.V. (NL) 1995-04-18 US claimed
US-5378627-A TREATING A TRANS-3-PHENYLGLYCIDIC ACID AND AN ALKANOL IN A SOLVENT WITH A HYDROLASE WHICH PREFERENTIALLY ESTERIFIES ONE ISOMER OF THE RACEMIC MIXTURE TANABE SEIYAKU CO., LTD. (JP) 1995-01-03 US claimed
EP-0602740-A1 Process for the enzymatic preparation of optically active transglycidic acid esters DSM N.V. (NL) 1994-06-22 EP claimed
US-5204248-A Enzymatic reduction of corresponding oxo derivative; intermediate for diltiazem TANABE SEIYAKU CO., LTD. (JP) 1993-04-20 US claimed
EP-0528607-A2 Process for preparing optically active 3-phenylglycidic acid esters TANABE SEIYAKU CO., LTD. (JP) 1993-02-24 EP claimed
EP-0447938-A1 Process for preparing 2-halogeno-3-hydroxy-3-phenyl-propionic acid ester compounds TANABE SEIYAKU CO., LTD. (JP) 1991-09-25 EP claimed
JP-5068588-A None JP disclosed
JP-6335399-A None JP disclosed
JP-8131189-A None JP disclosed
EP-4065231-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-10-05 EP disclosed
EP-0489831-A1 Substituted quinolines, their preparation and their use as lipoxygenase inhibitors and/or leukotriene antagonists LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1992-06-17 EP disclosed
WO-1991013066-A2 METHOD FOR PREPARING CIS-β-PHENYLGLYCIDIC-(2R,3R) ACID RHONE-POULENC RORER S.A. (FR) 1991-09-05 WO disclosed
WO-1991003466-A1 SUBSTITUTED QUINOLINES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1991-03-21 WO disclosed
JP-H00568588-A 0001-01-01 JP disclosed