SCHEMBL9498680

SCHEMBL9498680

CCc1ccc(-c2ccccc2C(O)CC)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 3/20 0.36
CYP11B1 P15538 6/20 0.36
CYP11B2 P19099 4/20 0.36
MAPK1 P28482 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.33

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
SCHEMBL9499176 0.89 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2PDCD1CD274
SCHEMBL9500477 0.86 RAB9A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9498768 0.85 RAB9A (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9500177 0.84 RAB9A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9500862 0.84 RAB9A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9500282 0.84 RAB9A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9500068 0.84 RAB9A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9500839 0.84 RAB9A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9502022 0.84 CCR1 (0.44) NPC1RAB9ASMN1; SMN2PDCD1CD274
SCHEMBL9498396 0.82 LMNA (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA

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