SCHEMBL2192158

SCHEMBL2192158

C=COC(CCC)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
PRKCA P17252 2/20 0.39
PRKCD Q05655 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MITF O75030 1/20 0.36
PAX8 Q06710 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL1638386 0.88 LMNA (0.45) KMT2APRKCAPRKCDSMN1; SMN2TP53
SCHEMBL12965759 0.86 PRKCA (0.50) KMT2APRKCAPRKCDALDH1A1MAPT
SCHEMBL4640184 0.83 TAS1R3 (0.40) PRKCAPRKCDSMN1; SMN2ALDH1A1MAPT
Isophthalic Acid SCHEMBL1134106 0.81 KMT2A (0.46) KMT2ASMN1; SMN2MRGPRX4TP53PKM
SCHEMBL10493442 0.81 KMT2A (0.40) KMT2ASMN1; SMN2MRGPRX4TP53PKM
SCHEMBL4946489 0.80 PRKCA (0.61) KMT2APRKCAPRKCDSMN1; SMN2MRGPRX4
SCHEMBL6865012 0.79 MAPT (0.34) PRKCAPRKCDTP53ALDH1A1MAPT
SCHEMBL2185343 0.78 KMT2A (0.48) KMT2APRKCAPRKCDSMN1; SMN2MRGPRX4
SCHEMBL12965760 0.78 PRKCA (0.52) PRKCAPRKCDALDH1A1HSD17B10LMNA
SCHEMBL28818174 0.78 ALDH1A1 (0.45) KMT2ATP53ALDH1A1HPGDHSD17B10

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
US-20110171431-A1 FINE STRUCTURE AND STAMPER FOR IMPRINTING HITACHI, LTD. (JP) 2011-07-14 US disclosed
US-20050276934-A1 Thermally vanishing material, transfer sheet using the same, and method for forming pattern SEKISUI CHEMICAL CO., LTD. (JP) 2005-12-15 US disclosed