SCHEMBL19569445

SCHEMBL19569445

O=C(COc1ccc(Cl)cc1)NC1CC2(NC(=O)COc3cccc(Cl)c3)CC1C2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 12/20 0.55
▸ ALDH1A1 P00352 3/20 0.48
▸ MCHR1 Q99705 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL22669460 0.91 ATF4 (0.65) ATF4ALDH1A1TSHR
SCHEMBL20631578 0.84 ATF4 (0.56) ATF4ALDH1A1LMNAHPGD
SCHEMBL20631569 0.83 ATF4 (0.55) ATF4ALDH1A1
SCHEMBL19569430 0.83 ATF4 (0.80) ATF4ALDH1A1LMNA
SCHEMBL21390094 0.81 ATF4 (0.58) ATF4ALDH1A1
SCHEMBL19569490 0.80 ATF4 (0.57) ATF4
SCHEMBL19569260 0.80 ATF4 (0.56) ATF4
SCHEMBL19569769 0.80 ATF4 (0.56) ATF4LMNA
SCHEMBL20631999 0.80 ATF4 (0.50) ATF4ALDH1A1
SCHEMBL20631572 0.79 ATF4 (0.55) ATF4ALDH1A1HPGDTSHR

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
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