SCHEMBL24323517

SCHEMBL24323517

Cc1ccc(OCC(=O)NC23CC(C(=O)NCCOc4cccc(C)c4)(C2)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.59
▸ POLB P06746 2/20 0.54
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ATF4 P18848 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL19577396 0.93 PPARD (0.56) PPARDPOLBKMT2AMAPTATF4
SCHEMBL19577397 0.87 ATF4 (0.62) DRD2DRD4DRD3KDM4EKMT2A
SCHEMBL24322995 0.85 PPARD (0.58) PPARDPOLBDRD2DRD4DRD3
SCHEMBL19577393 0.82 ATF4 (0.56) PPARDKDM4EATF4TP53
SCHEMBL19555682 0.81 ATF4 (0.70) KDM4EKMT2AATF4MEN1NPC1
SCHEMBL19577394 0.80 ATF4 (0.57) POLBMAPK1GAAMAPTATF4
SCHEMBL24116911 0.80 ATF4 (0.56) PPARDKDM4EATF4
SCHEMBL19569418 0.79 ATF4 (0.74) POLBKMT2AMAPK1GAAMAPT
SCHEMBL30025592 0.79 ATF4 (0.74) POLBKMT2AMAPK1GAAMAPT
SCHEMBL22395386 0.78 ATF4 (0.61) ATF4

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-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 — — EP disclosed
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