SCHEMBL1235822

SCHEMBL1235822

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.63
AKR1B1 P15121 3/20 0.63
GPBAR1 Q8TDU6 1/20 0.63
GABRP O00591 4/20 0.57
GABRD O14764 4/20 0.57
GABRA1 P14867 4/20 0.57
GABRB1 P18505 4/20 0.57
GABRG2 P18507 4/20 0.57
GABRB3 P28472 4/20 0.57
GABRA5 P31644 4/20 0.57
GABRA3 P34903 4/20 0.57
GABRA2 P47869 4/20 0.57
GABRB2 P47870 4/20 0.57
GABRA4 P48169 4/20 0.57
GABRE P78334 4/20 0.57
GABRA6 Q16445 4/20 0.57
GABRG1 Q8N1C3 4/20 0.57
GABRG3 Q99928 4/20 0.57
GABRQ Q9UN88 4/20 0.57
G6PD P11413 2/20 0.57

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
SCHEMBL890668 1.00 AKR1B10 (0.63) AKR1B10AKR1B1GPBAR1GABRPGABRD
SCHEMBL11150042 0.90 SRD5A2 (0.59) AKR1B10AKR1B1GPBAR1GABRPGABRD
SCHEMBL3115610 0.85 AKR1B10 (0.60) AKR1B10AKR1B1GPBAR1GABRPGABRD
SCHEMBL3115619 0.85 AKR1B10 (0.60) AKR1B10AKR1B1GPBAR1GABRPGABRD
SCHEMBL9155552 0.84 AKR1B10 (0.58) AKR1B10AKR1B1GPBAR1GABRPGABRD
SCHEMBL17065133 0.84 AKR1B10 (0.58) AKR1B10AKR1B1GPBAR1GABRPGABRD
SCHEMBL11516238 0.82 GPBAR1 (0.59) GPBAR1CYP3A4KMT2ALMNACYP1A2
SCHEMBL3842363 0.82 GPBAR1 (0.59) GPBAR1CYP3A4KMT2ALMNACYP1A2
SCHEMBL6577636 0.82 GPBAR1 (0.59) GPBAR1CYP3A4KMT2ALMNACYP1A2
SCHEMBL7062550 0.81 GRIN2D (0.57) AKR1B10AKR1B1GPBAR1GABRPGABRD

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
WO-2011016043-A2 ANTIBIOTIC DRUG DELIVERY AND POTENTIATION TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2011-02-10 WO disclosed
EP-2021522-A2 BIODEGRADABLE MAGNESIUM ALLOYS AND USES THEREOF Biomagnesium Systems Ltd. (IL) 2009-02-11 EP disclosed
WO-2007125532-A2 BIODEGRADABLE MAGNESIUM ALLOYS AND USES THEREOF BIOMAGNESIUM SYSTEMS LTD. (IL) 2007-11-08 WO disclosed
EP-1848541-A2 METHOD AND DEVICE FOR OPHTHALMIC ADMINISTRATION OF ACTIVE PHARMACEUTICAL INGREDIENTS Pharmalight Inc. (US) 2007-10-31 EP disclosed
WO-2006082588-A2 METHOD AND DEVICE FOR OPHTHALMIC ADMINISTRATION OF ACTIVE PHARMACEUTICAL INGREDIENTS PHARMALIGHT INC. (US) 2006-08-10 WO disclosed
EP-1501858-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2005-02-02 EP disclosed
WO-2003092578-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-13 WO disclosed
US-4150126-A ANTITUMOR AND ANTICARCINOGENIC AGENTS AND ANIBODY INHIBITORS AKTIEBOLAGET LEO (SE) 1979-04-17 US disclosed