SCHEMBL19569744

SCHEMBL19569744

COC(=O)c1cc(OCC(=O)NC2(C)CC(C)(NC(=O)COc3ccc4c(c3)OC(F)(F)O4)C2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
P2RX7 Q99572 3/20 0.40
P2RY12 Q9H244 1/20 0.40
ATF4 P18848 8/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL19555317 0.92 ATF4 (0.48) RAB9AP2RX7P2RY12ATF4TSHR
SCHEMBL19569741 0.89 MRGPRX4 (0.46) RAB9AATF4MRGPRX4TSHRNPC1
SCHEMBL22669379 0.87 RAB9A (0.42) RAB9AP2RX7P2RY12MRGPRX4TSHR
SCHEMBL20999329 0.85 RAB9A (0.41) RAB9ATSHRNPC1LMNAMAPT
SCHEMBL25812778 0.85 MRGPRX4 (0.43) RAB9AATF4MRGPRX4TSHRNPC1
SCHEMBL27224194 0.81 ATF4 (0.37) RAB9AP2RX7P2RY12ATF4TSHR
SCHEMBL22656715 0.80 ALDH1A1 (0.43) RAB9AATF4TSHRNPC1LMNA
SCHEMBL30025980 0.78 ATF4 (0.64) ATF4TSHRALDH1A1HPGD
SCHEMBL19569617 0.78 ATF4 (0.64) ATF4TSHRALDH1A1HPGD
SCHEMBL20974037 0.78 ATF4 (0.56) RAB9AATF4MRGPRX4TSHRNPC1

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
WO-2017193034-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 WO disclosed