SCHEMBL24323107

SCHEMBL24323107

Cc1ccc(OCCNC(=O)C2(C)CC(C)(NC(=O)COc3ccc(C)cc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.52
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ATF4 P18848 2/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL24324540 0.96 NPC1 (0.58) NPC1KMT2AKDM4ELMNAMAPT
SCHEMBL24322995 0.92 PPARD (0.58) NPC1KMT2AMEN1KDM4ELMNA
SCHEMBL24322982 0.89 NPC1 (0.43) NPC1KMT2AMEN1KDM4EHDAC1
SCHEMBL24324190 0.86 ATF4 (0.52) NPC1KMT2AKDM4ELMNAGAA
SCHEMBL19577397 0.80 ATF4 (0.62) NPC1KMT2AKDM4ELMNAMAPT
SCHEMBL24323517 0.76 PPARD (0.59) NPC1KMT2AMEN1KDM4EGAA
SCHEMBL21116380 0.74 NPC1 (0.53) NPC1KMT2AMEN1KDM4ELMNA
SCHEMBL19555682 0.73 ATF4 (0.70) NPC1KMT2AMEN1KDM4EATF4
SCHEMBL19569414 0.73 ATF4 (0.75) NPC1KMT2AMEN1ATF4ALDH1A1
SCHEMBL24323244 0.73 ALDH1A1 (0.47) NPC1KMT2AMEN1KDM4ELMNA

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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