SCHEMBL9499324

SCHEMBL9499324

CCCCCOc1cnc(-c2ccccc2C(O)CC)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
PTPN11 Q06124 1/20 0.39
PPARG P37231 4/20 0.39
NR5A1 Q13285 1/20 0.38
PLA2G4B P0C869 2/20 0.38
NPC1 O15118 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
PDK2 Q15119 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.37
RAB9A P51151 2/20 0.37
PPARA Q07869 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9869224 0.99 PTPN11 (0.41) LTA4HPTPN11PPARGNR5A1PLA2G4B
SCHEMBL9869226 0.99 PTPN11 (0.41) LTA4HPTPN11PPARGNR5A1PLA2G4B
SCHEMBL9498253 0.99 PTPN11 (0.41) LTA4HPTPN11PPARGNR5A1PLA2G4B
SCHEMBL9870378 0.99 PTPN11 (0.41) LTA4HPTPN11PPARGNR5A1PLA2G4B
SCHEMBL9870627 0.99 PTPN11 (0.41) LTA4HPTPN11PPARGNR5A1PLA2G4B
SCHEMBL9498712 0.96 NPC1 (0.40) LTA4HPTPN11PLA2G4BNPC1PDK2
SCHEMBL9500576 0.92 ALDH1A1 (0.39) LTA4HNPC1NFKB1NFKB2RELA
SCHEMBL9498391 0.88 LMNA (0.37) LTA4HNPC1SMN1; SMN2POLBMAPT
SCHEMBL9500246 0.85 LMNA (0.37) PDK2SMN1; SMN2POLBMAPTTP53
SCHEMBL9500255 0.85 LTA4H (0.41) LTA4HPTPN11PPARGNR5A1PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed