SCHEMBL9500255

SCHEMBL9500255

CCCCCOc1ccc(-c2ccccc2C(O)CC)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 1/20 0.41
PTPN11 Q06124 1/20 0.40
NR5A1 Q13285 1/20 0.39
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
PDK2 Q15119 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9500276 0.99 KDM4E (0.43) LTA4HKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9499201 0.99 KDM4E (0.43) LTA4HKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9498606 0.99 KDM4E (0.43) LTA4HKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9498386 0.99 KDM4E (0.43) LTA4HKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9498427 0.99 KDM4E (0.43) LTA4HKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9500172 0.97 CYP2D6 (0.40) LTA4HKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9498372 0.92 CYP4F2 (0.38) LTA4HKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9499159 0.88 MAPT (0.38) LTA4HKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9499324 0.85 LTA4H (0.40) LTA4HKDM4EPTPN11NR5A1PDK2
SCHEMBL9498220 0.84 CYP11B1 (0.38) ALDH1A1HPGDHTTRAB9ANPC1

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