SCHEMBL13299447

SCHEMBL13299447

O=C(OCC1CCCCC1)C(=Cc1ccccc1)C(=O)OCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 3/20 0.44
NR1H4 Q96RI1 1/20 0.43
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.41
S1PR4 O95977 1/20 0.41

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
SCHEMBL4004783 0.87 DPEP1 (0.45) MEN1KMT2ALMNANR1H4MAPT
SCHEMBL4008900 0.82 LMNA (0.48) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL13240377 0.81 CDK2 (0.46)
SCHEMBL5710086 0.78 MGLL (0.57) MEN1KMT2ALMNARAB9A
SCHEMBL5710083 0.78 MGLL (0.57) MEN1KMT2ALMNARAB9A
SCHEMBL13299640 0.76 MEN1 (0.47) MEN1KMT2ALMNAMAPT
SCHEMBL15573522 0.76 MEN1 (0.68) MEN1KMT2ALMNANR1H4MAPT
SCHEMBL18060185 0.76 MEN1 (0.68) MEN1KMT2ALMNANR1H4MAPT
SCHEMBL9002096 0.76 CHRNB4 (0.53) KMT2ALMNACHRNB2CHRNB4CHRNA3
SCHEMBL7452740 0.74 CARM1 (0.57) MEN1KMT2ALMNACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193784-A1 Cosmetic compositions containing an ester derivative of 2-pyrrolidinone 4-carboxy and a lipophilic triazine filter, with use of said derivative as a solvent of a lipophilic triazine filter L'OREAL (FR) 2010-06-09 EP disclosed
WO-2009074409-A1 S-TRIAZINE COMPOUNDS CONTAINING ONE AMINOSILOXANE GROUP AND TWO PARTICULAR PARA-AMINOBENZALMALONATE GROUPS; COSMETIC COMPOSITIONS CONTAINING SAID DERIVATIVES; USES OF SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2009-06-18 WO disclosed