SCHEMBL21802632

SCHEMBL21802632

CC12CCCC1C1CCC3C[C@H](O)CCC3(C)C1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 1.00
CDK5 Q00535 1/20 0.70
CDK5R1 Q15078 1/20 0.70
LMNA P02545 3/20 0.67
GPBAR1 Q8TDU6 2/20 0.67
CYP3A4 P08684 2/20 0.67
SHBG P04278 1/20 0.67
SERPINA6 P08185 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
HSD17B10 Q99714 1/20 0.67
GRIN1 Q05586 2/20 0.63
GRIN2B Q13224 2/20 0.63
G6PD P11413 2/20 0.59
MEN1 O00255 1/20 0.59
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
GMNN O75496 1/20 0.59

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
SCHEMBL1047682 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL15963473 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL3130550 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL3440809 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL2555591 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL13785427 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL11128263 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL20781172 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL20781187 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL11250886 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108220387-A A kind of total bile acid detection kit 潍坊市康华生物技术有限公司 2018-06-29 CN claimed
CN-1322130-A Inhibition of type 3 alpha-hydroxysteroid dehydrogenase ENDORECH INC (CA) 2001-11-14 CN claimed
EP-3180424-B1 3ALPHA-HYDROXYSTERIOD DEHYDROGENASE MUTANTS AND METHOD FOR PRODUCING URSODEOXYCHOLIC ACID PHARMAZELL GMBH (DE) 2020-03-18 EP disclosed
CN-109082419-A A kind of 3alpha-Hydroxysteroid dehydrogenase mutant, coding nucleotide sequence and kit 深圳上泰生物工程有限公司 2018-12-25 CN disclosed
CN-105936897-A Novel 7beta-hydroxysteroid dehydrogenases and their use 细胞制药有限公司 2016-09-14 CN disclosed
CN-104388440-A DNA sequence for expressing 3 alpha-hydroxysteroid dehydrogenase in Pseudomonas aeruginosa UNIV SICHUAN 2015-03-04 CN disclosed
CN-101698834-B 3 alpha-hydroxysteroid dehydrogenase and nucleotide sequence, recombinant vector, recombinant host cell and kit thereof BEIJING LEADMAN BIOCHEMISTRY CO LTD 2012-05-23 CN disclosed
CN-101698834-A 3 alpha-hydroxysteroid dehydrogenase, nucleotide sequence thereof, recombinant vector thereof, recombinant host cells thereof and kit BEIJING LEADMAN BIOCHEMISTRY C 2010-04-28 CN disclosed
CN-1429104-A Inhibitors of 17 beta-hydroxysteroid dehydrogenase type 5 and 3 and methods of use thereof ENDORECH INC (CA) 2003-07-09 CN disclosed
CN-1322130-A Inhibition of type 3 alpha-hydroxysteroid dehydrogenase ENDORECH INC (CA) 2001-11-14 CN disclosed