SCHEMBL9500477

SCHEMBL9500477

CCCCc1ccc(-c2ccccc2C(O)CC)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NFKB1 P19838 5/20 0.52
NFKB2 Q00653 4/20 0.52
RELA Q04206 4/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.45
STAT3 P40763 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL9498768 0.96 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9500177 0.95 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9500282 0.95 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9500862 0.95 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9500068 0.95 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9500839 0.95 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9499176 0.92 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9498680 0.86 NPC1 (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9498428 0.84 RARB (0.40) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9500172 0.82 CYP2D6 (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT

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