SCHEMBL18860752

SCHEMBL18860752

CCN1C(=O)CC(C)C1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
PER2 O15055 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL24340772 0.84 GBA1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3370155 0.78 PER2 (0.38) L3MBTL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL20330126 0.76 CARM1 (0.34) BRD4
SCHEMBL22688034 0.73 PAOX (0.33)
SCHEMBL22700464 0.73 GAA (0.38)
SCHEMBL16421836 0.73
SCHEMBL13228879 0.72 KMT2A (0.38) L3MBTL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7280355 0.71
SCHEMBL23179896 0.71 SIGMAR1 (0.36) SIGMAR1KMT2A
SCHEMBL21162304 0.70 OPRM1 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-3753578-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2020-12-23 EP disclosed
EP-1599532-B1 POLYMER COMPOSITIONS CONTAINING AN ULTRAVIOLET LIGHT ABSORBING COMPOUND EASTMAN CHEM CO (US) 2017-05-17 EP disclosed