SCHEMBL9498372

SCHEMBL9498372

CCCOc1ccc(-c2ccccc2C(O)CC)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.38
CYP4A11 Q02928 4/20 0.38
PDK2 Q15119 1/20 0.36
SMN1; SMN2 Q16637 7/20 0.35
ALDH1A1 P00352 7/20 0.35
MAPT P10636 6/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
LTA4H P09960 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9500172 0.95 CYP2D6 (0.40) CYP4F2CYP4A11PDK2SMN1; SMN2ALDH1A1
SCHEMBL9500255 0.92 LTA4H (0.41) CYP4F2CYP4A11PDK2SMN1; SMN2ALDH1A1
SCHEMBL9498427 0.91 KDM4E (0.43) CYP4F2CYP4A11PDK2SMN1; SMN2ALDH1A1
SCHEMBL9499201 0.91 KDM4E (0.43) CYP4F2CYP4A11PDK2SMN1; SMN2ALDH1A1
SCHEMBL9498606 0.91 KDM4E (0.43) CYP4F2CYP4A11PDK2SMN1; SMN2ALDH1A1
SCHEMBL9498386 0.91 KDM4E (0.43) CYP4F2CYP4A11PDK2SMN1; SMN2ALDH1A1
SCHEMBL9500276 0.91 KDM4E (0.43) CYP4F2CYP4A11PDK2SMN1; SMN2ALDH1A1
SCHEMBL9499159 0.91 MAPT (0.38) PDK2SMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL9498220 0.86 CYP11B1 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL9500576 0.84 ALDH1A1 (0.39) PDK2SMN1; SMN2ALDH1A1MAPTNPC1

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