SCHEMBL24372403

SCHEMBL24372403

O=C(N1CCCC1)C1(c2cccc(CNCCO)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DPP7 Q9UHL4 2/20 0.43
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL31042808 1.00 HSD11B1 (0.53) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL24372411 0.99 HSD11B1 (0.54) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL24372381 0.85 HSD11B1 (0.56) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL24372437 0.84 HSD11B1 (0.57) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL24372374 0.84 HSD11B1 (0.57) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL24372376 0.83 HSD11B1 (0.53) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL24372370 0.83 HSD11B1 (0.58) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL24372369 0.82 HSD11B1 (0.54) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL5094217 0.80 HSD11B1 (0.61) HSD11B1MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL5098968 0.73 F10 (0.45) HSD11B1F2F10PRSS1PRSS2

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-3988090-A1 P62 LIGAND COMPOUND AND ER-PHAGY-PROMOTING USE THEREOF Protech Inc. (KR) 2022-04-27 EP disclosed