SCHEMBL28969199

SCHEMBL28969199

Cc1ccc(OC(=O)CC(C)C(=O)Oc2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.43
ELANE P08246 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NLRP1 Q9C000 1/20 0.40
ESR1 P03372 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL28969201 0.86 LMNA (0.48) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL3627609 0.84 ELANE (0.47) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL1532609 0.84 LMNA (0.53) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL30211014 0.83 LMNA (0.46) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL12419169 0.82 LMNA (0.52) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL28969235 0.82 LMNA (0.56) LMNAGAAKMT2AALDH1A1TDP1
SCHEMBL13999984 0.81 KMT2A (0.49) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL16906272 0.81 LMNA (0.50) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL27675916 0.81 LMNA (0.50) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL27495483 0.80 LMNA (0.46) LMNAGAAKMT2AALDH1A1MEN1

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
CN-115667585-A Closed-loop cooling water corrosion inhibition using polymaleate and non-borate buffers 埃科莱布美国股份有限公司 2023-01-31 CN disclosed