SCHEMBL22437035

SCHEMBL22437035

O=C(COc1ccc(Cl)c(Cl)c1)NC12CCC(NC(=O)c3cc(C(F)F)no3)(CC1)CC2O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 11/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL19556219 1.00 ATF4 (0.37) ATF4ALDH1A1GAASENP2HDAC6
SCHEMBL32689691 0.94 SENP2 (0.44) ATF4ALDH1A1GAASENP2TSHR
SCHEMBL22628079 0.94 SENP2 (0.44) ATF4ALDH1A1GAASENP2TSHR
SCHEMBL22956629 0.94 ATF4 (0.38) ATF4ALDH1A1HPGDTSHRMAPT
SCHEMBL19556229 0.94 ATF4 (0.45) ATF4
SCHEMBL19555951 0.94 ATF4 (0.45) ATF4
SCHEMBL22612518 0.93 KCNH2 (0.40) ATF4ALDH1A1GAASENP2HDAC6
SCHEMBL22437133 0.93 KCNH2 (0.40) ATF4ALDH1A1GAASENP2HDAC6
SCHEMBL22628519 0.92 ATF4 (0.47) ATF4SENP2TSHRMAPT
SCHEMBL22628052 0.91 USP2 (0.36) ATF4SENP2MAPT

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-3710428-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-23 — — EP disclosed
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