SCHEMBL15436244

SCHEMBL15436244

CC(CCC(=O)OC1(C)CCOC(=O)C1)C1CCC2C3C(N=O)CC4CC(O)CCC4(C)C3CCC12C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 0.55
NR1H4 Q96RI1 5/20 0.51
ABCB11 O95342 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC10A2 Q12908 2/20 0.51
ENPP2 Q13822 2/20 0.51
LMNA P02545 1/20 0.51
CYP2C19 P33261 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA1A P35348 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SLC10A1 Q14973 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
VDR P11473 1/20 0.50
NR3C1 P04150 2/20 0.49

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
SCHEMBL132512 0.91 GPBAR1 (0.68) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL20962050 0.91 GPBAR1 (0.68) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL13427015 0.91 GPBAR1 (0.68) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL134379 0.87 GPBAR1 (0.68) GPBAR1NR1H4LMNACYP2C19TDP1
SCHEMBL445628 0.87 GPBAR1 (0.68) GPBAR1NR1H4LMNACYP2C19TDP1
SCHEMBL134380 0.87 GPBAR1 (0.68) GPBAR1NR1H4LMNACYP2C19TDP1
SCHEMBL12937516 0.86 GPBAR1 (0.55) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL14621188 0.82 GPBAR1 (0.60) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL7893722 0.82 CYP3A4 (0.70) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL13019309 0.80 GPBAR1 (0.51) GPBAR1NR1H4ABCB11MEN1KMT2A

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
EP-1693705-B1 Positive resist composition and pattern forming method using the resist composition FUJIFILM CORP (JP) 2014-01-22 EP disclosed