SCHEMBL8435259

SCHEMBL8435259

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 13/20 0.75
NR1H4 Q96RI1 3/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
ABCB11 O95342 2/20 0.75
SLC10A2 Q12908 2/20 0.75
CYP3A4 P08684 2/20 0.75
LMNA P02545 2/20 0.75
CYP2C19 P33261 1/20 0.75
CHRM2 P08172 1/20 0.75
ADRA2A P08913 1/20 0.75
ADRA1A P35348 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
ENPP2 Q13822 1/20 0.75
SLC10A1 Q14973 1/20 0.75
CISD1 Q9NZ45 1/20 0.75
PDE3A Q14432 1/20 0.70

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
SCHEMBL1071844 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL1931918 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19697632 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL8659794 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL24408031 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL24999988 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL18827757 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL24001462 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL16361266 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL16361423 1.00 GPBAR1 (0.75) GPBAR1NR1H4MEN1KMT2AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869319-A FACULTATIVE ANAEROBE WHICH PRODUCES 7-BETA-HYDROXY BILE ACIDS FROM SUBSTRATES HAVING 7-ALPHA-HYDROXY OR 7-KETO GROUPS FOR SAFE, SIMPLE, EFFICIENT COMMERCIAL PRODUCTION TOKYO TANABE COMPANY LIMITED (JP) 1999-02-09 US claimed
EP-0872546-A1 NOVEL BILE ACID-CONVERTING MICROORGANISM TOKYO TANABE COMPANY LIMITED (JP) 1998-10-21 EP claimed
EP-0583566-B1 Process for the preparation of glycine-conjugated bile acids ERREGIERRE IND CHIM (IT) 1998-09-23 EP claimed