SCHEMBL7303774

SCHEMBL7303774

CCCOc1ccc(OCCC)c(C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
PLK1 P53350 1/20 0.44
PNLIP P16233 1/20 0.44
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
CA9 Q16790 1/20 0.42
PTPN11 Q06124 1/20 0.42
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
LTA4H P09960 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
SCHEMBL11322929 0.85 KMT2A (0.55) KMT2AL3MBTL1LMNAHTTPTPN11
SCHEMBL4729840 0.83 KDM4E (0.57) L3MBTL1MAPTHSD17B10LMNAHTT
SCHEMBL6487232 0.83 HPGD (0.52) MAPTHSD17B10LMNACA9PTPN11
SCHEMBL11328546 0.83 PLA2G2A (0.48) KMT2AL3MBTL1PLK1MAPTHSD17B10
SCHEMBL13332125 0.82 THRA (0.50) KMT2AL3MBTL1MAPTPTPN11
SCHEMBL11331647 0.81 L3MBTL1 (0.48) KMT2AL3MBTL1MAPTHSD17B10LMNA
SCHEMBL7164453 0.81 HDAC1 (0.55) L3MBTL1MAPTHSD17B10HTTCA9
SCHEMBL20496450 0.80 LMNA (0.52) KMT2AL3MBTL1PNLIPMAPTLMNA
SCHEMBL9402736 0.79 PTPN11 (0.54) KMT2AMAPTLMNAPTPN11
SCHEMBL11364359 0.79 ALDH1A1 (0.55) KMT2AL3MBTL1MAPTLMNAPTPN11

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-0636626-A1 Pyrazolopyrimidine Derivatives LABORATOIRES GLAXO SA (FR) 1995-02-01 EP disclosed
US-4276430-A FOR TOPICAL APPLICATION AND SYSTEMIC ADMINISTRATION; ESTERS OF DIHYDROXYBENZOIC ACID THE PROCTER & GAMBLE COMPANY (US) 1981-06-30 US disclosed