SCHEMBL9848383

SCHEMBL9848383

CC(=O)OCC(C)CCCC[O]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 5/20 0.38
USP2 O75604 4/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
FAAH O00519 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
RECQL P46063 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL14525664 0.84 FAAH (0.49) ALDH1A1MAPTFAAHACE2
SCHEMBL22689608 0.83 TDP1 (0.45) PTPN1ALDH1A1USP2CYP3A4MAPT
SCHEMBL17466185 0.82 ALDH1A1 (0.47) PTPN1ALDH1A1USP2CYP3A4MAPT
SCHEMBL28323464 0.82 ACE2 (0.52) ALDH1A1MAPTFAAHACE2
SCHEMBL27761768 0.82 ACE2 (0.52) ALDH1A1MAPTFAAHACE2
SCHEMBL4585164 0.82 ACE2 (0.52) ALDH1A1MAPTFAAHACE2
SCHEMBL16556659 0.82 ACE2 (0.52) ALDH1A1MAPTFAAHACE2
SCHEMBL27257661 0.82 ACE2 (0.52) ALDH1A1MAPTFAAHACE2
SCHEMBL19302152 0.82 PTPN1 (0.40) PTPN1ALDH1A1USP2CYP3A4MAPT
SCHEMBL11821362 0.82 ALDH1A1 (0.50) PTPN1ALDH1A1CYP3A4MAPTMAPK1

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
EP-0433457-A1 ANTIPRURITIC COMPOSITION SHISEIDO COMPANY LIMITED (JP) 1991-06-26 EP disclosed