Cholate

Cholate

SCHEMBL19273280

C[C@H](CCC(=O)O)C1CCC2[C@]1(C)[C@@H](O)C[C@@H]1C3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@@]21C

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 11/20 0.64
▸ NR1H4 Q96RI1 5/20 0.64
▸ PDE3A Q14432 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ SLC10A2 Q12908 3/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ LMNA P02545 2/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ABCB11 O95342 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ ENPP2 Q13822 1/20 0.58
▸ SLC10A1 Q14973 1/20 0.58
▸ CISD1 Q9NZ45 1/20 0.58
▸ TP53 P04637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56

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
Cholate SCHEMBL18472024 1.00 GPBAR1 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
Cholate SCHEMBL12568048 1.00 GPBAR1 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
Cholate SCHEMBL19268301 1.00 GPBAR1 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
Cholate SCHEMBL18485247 1.00 GPBAR1 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL26238244 0.90 USP2 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL26237886 0.90 USP2 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
Cholate SCHEMBL29568257 0.90 ALDH1A1 (0.66) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL12568064 0.90 GPBAR1 (0.52) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL22388960 0.89 GPBAR1 (0.52) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL15633643 0.83 EPHA2 (0.51) GPBAR1SLC10A2KMT2AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170242338-A1 ACTIVE-LIGHT-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTIVE-LIGHT-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-08-24 — — US disclosed
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