SCHEMBL9500276

SCHEMBL9500276

CCCCCCOc1ccc(-c2ccccc2C(O)CC)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN11 Q06124 1/20 0.42
NR5A1 Q13285 1/20 0.41
LTA4H P09960 1/20 0.40
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
PDK2 Q15119 2/20 0.40
PPARG P37231 2/20 0.39
PLA2G4B P0C869 1/20 0.38
S1PR1 P21453 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9498386 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9499201 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9498606 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9498427 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9500255 0.99 LTA4H (0.41) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9500172 0.96 CYP2D6 (0.40) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9498372 0.91 CYP4F2 (0.38) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9499159 0.87 MAPT (0.38) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9869224 0.85 PTPN11 (0.41) PTPN11NR5A1LTA4HPDK2PPARG
SCHEMBL9498253 0.85 PTPN11 (0.41) PTPN11NR5A1LTA4HPDK2PPARG

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