SCHEMBL25812778

SCHEMBL25812778

CNC1(C)CC(C)(NC(=O)COc2ccc3c(c2)OC(F)(F)O3)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
TSHR P16473 1/20 0.43
ATF4 P18848 3/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
GLA P06280 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL19569741 0.95 MRGPRX4 (0.46) MRGPRX4ALDH1A1HPGDTSHRATF4
SCHEMBL19569744 0.85 RAB9A (0.43) MRGPRX4ALDH1A1HPGDTSHRATF4
SCHEMBL20974037 0.83 ATF4 (0.56) MRGPRX4ALDH1A1HPGDTSHRATF4
SCHEMBL19569725 0.81 ATF4 (0.57) MRGPRX4ALDH1A1HPGDTSHRATF4
SCHEMBL19569767 0.81 ATF4 (0.54) MRGPRX4ALDH1A1HPGDTSHRATF4
SCHEMBL20973906 0.81 ATF4 (0.53) MRGPRX4ALDH1A1HPGDTSHRATF4
SCHEMBL30025279 0.81 ATF4 (0.50) MRGPRX4ALDH1A1HPGDTSHRATF4
SCHEMBL22397113 0.80 ATF4 (0.69) ALDH1A1HPGDTSHRATF4KMT2A
SCHEMBL20974272 0.80 ATF4 (0.51) MRGPRX4ALDH1A1HPGDTSHRATF4
SCHEMBL20973828 0.80 ALDH1A1 (0.49) MRGPRX4ALDH1A1HPGDTSHRATF4

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 EP disclosed