SCHEMBL10712640

SCHEMBL10712640

CCOC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1.Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 2/20 0.49
ALDH2 P05091 1/20 0.48
EPHX2 P34913 2/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
FFAR1 O14842 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 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
SCHEMBL10487443 0.93 KMT2A (0.55) L3MBTL1LMNAKMT2AALDH2EPHX2
SCHEMBL13744595 0.82 KMT2A (0.53) L3MBTL1LMNAKMT2AALDH2EPHX2
SCHEMBL9621303 0.82 LMNA (0.66) L3MBTL1LMNAKMT2AALDH2EPHX2
SCHEMBL2481397 0.82 LMNA (0.66) L3MBTL1LMNAKMT2AALDH2EPHX2
SCHEMBL5789381 0.82 LMNA (0.66) L3MBTL1LMNAKMT2AALDH2EPHX2
SCHEMBL10487407 0.80 KMT2A (0.51) L3MBTL1LMNAKMT2AALDH2EPHX2
SCHEMBL10714951 0.80 KMT2A (0.51) L3MBTL1LMNAKMT2AALDH2EPHX2
SCHEMBL22542311 0.78 LMNA (0.57) L3MBTL1LMNAKMT2AALDH2EPHX2
P-Cresol SCHEMBL6986663 0.78 LMNA (0.61) L3MBTL1LMNAKMT2AALDH2EPHX2
SCHEMBL1454525 0.78 L3MBTL1 (0.57) L3MBTL1LMNAKMT2AALDH2EPHX2

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
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed