SCHEMBL4642047

SCHEMBL4642047

CC(=O)OC(=O)C(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SRC P12931 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7106510 0.88 KMT2A (0.47) KMT2ACHRM1CHRM3CHRM2CHRM4
SCHEMBL9051580 0.82 KMT2A (0.45) KMT2ACHRM1CHRM3CHRM2CHRM4
SCHEMBL4642041 0.81 KMT2A (0.41) KMT2ACHRM1CHRM3CHRM2CHRM4
SCHEMBL329047 0.80 L3MBTL1 (0.53) KMT2AALDH1A1CYP3A4CHRM1CHRM3
SCHEMBL1526022 0.80 KMT2A (0.64) KMT2AALDH1A1CHRM1CHRM3CHRM2
SCHEMBL10527197 0.78 KMT2A (0.47) KMT2AALDH1A1CYP3A4CYP2D6LMNA
SCHEMBL378836 0.78 LMNA (0.54) KMT2AALDH1A1CYP3A4CHRM1CHRM3
SCHEMBL1040186 0.78 LMNA (0.54) KMT2AALDH1A1CYP3A4CHRM1CHRM3
SCHEMBL4202325 0.78 KMT2A (0.47) KMT2AALDH1A1CYP3A4CYP2D6LMNA
SCHEMBL2761810 0.78 LMNA (0.54) KMT2AALDH1A1CYP3A4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed
US-4865648-A ELECTRON DONOR DYE; ESTER; PHENOL, CARBOXY ACID, PHOSPHATE ESTER, TRIAZOLE KITO TSUTOMU (JP) 1989-09-12 US disclosed