SCHEMBL22990531

SCHEMBL22990531

O=C(COc1ccccc1)NC12CC(C3CCCCCCCC3)(C1)C2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 9/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL19577718 1.00 ATF4 (0.54) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL22990649 1.00 ATF4 (0.54) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL19577632 1.00 ATF4 (0.54) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL23624503 0.96 ATF4 (0.51) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL23624531 0.95 ATF4 (0.50) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL23624603 0.95 ATF4 (0.50) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL23624613 0.95 ATF4 (0.50) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL19568597 0.84 ATF4 (0.56) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL22627624 0.84 ATF4 (0.56) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL22627657 0.84 ATF4 (0.56) ATF4SMN1; SMN2ALDH1A1LMNAMEN1

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-3778575-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2021-02-17 — — EP disclosed
Send feedback