SCHEMBL6555586

SCHEMBL6555586

COC(=O)C(CC(=O)O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
EPHX1 P07099 1/20 0.34
EPHX2 P34913 6/20 0.33
ALDH1A1 P00352 3/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6555589 1.00 HSD11B1 (0.39) HSD11B1EPHX1EPHX2ALDH1A1ITGB1
SCHEMBL28931786 0.85 HSD11B1 (0.38) HSD11B1EPHX1EPHX2ALDH1A1L3MBTL1
SCHEMBL888272 0.81 EPHX1 (0.38) HSD11B1EPHX1EPHX2ALDH1A1L3MBTL1
SCHEMBL888449 0.78 L3MBTL1 (0.35) HSD11B1EPHX1EPHX2ALDH1A1L3MBTL1
SCHEMBL3217482 0.72 EPHX1 (0.37) HSD11B1EPHX1EPHX2ALDH1A1L3MBTL1
SCHEMBL958157 0.72 EPHX1 (0.37) EPHX1EPHX2ALDH1A1ITGB1ITGA4
SCHEMBL354346 0.69 HSD11B1 (0.45) HSD11B1EPHX1EPHX2ALDH1A1L3MBTL1
SCHEMBL3449944 0.69 ALDH1A1 (0.47) EPHX2ALDH1A1
SCHEMBL1176822 0.69 ALDH1A1 (0.47) EPHX2ALDH1A1
SCHEMBL1176820 0.69 ALDH1A1 (0.47) EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070043-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2004-02-18 EP disclosed
EP-1042270-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2003-04-09 EP disclosed
US-6414187-B1 PREPARING ENANTIOMERICALLY ENRICHED CARBOXYLIC ACID DERIVATIVE BY FORMING SALT OF DEHYDRO PRECURSOR ACID WITH STOICHIOMETRIC AMOUNT OF BASE AND ASYMMETRICALLY HYDROGENATING IN PRESENCE OF COMPLEX COMPRISING RHODIUM AND CHIRAL PHOSPHINE LIGAND CHIROTECH TECHNOLOGY, LTD. (GB) 2002-07-02 US disclosed
US-6207853-B1 SUCCINIC ACID DERIVATIVE CHIROTECH TECHNOLOGY, INC. (GB) 2001-03-27 US disclosed
EP-1070043-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2001-01-24 EP disclosed
EP-1042270-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2000-10-11 EP disclosed
WO-1999052852-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-10-21 WO disclosed
WO-1999031041-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-06-24 WO disclosed