SCHEMBL9499176

SCHEMBL9499176

CCCc1ccc(-c2ccccc2C(O)CC)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.44
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
TP53 P04637 3/20 0.44
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KLF5 Q13887 1/20 0.40
MAPT P10636 4/20 0.39
THRB P10828 2/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STAT3 P40763 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
SCHEMBL9500477 0.92 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53NFKB1
SCHEMBL9498768 0.91 RAB9A (0.50) SMN1; SMN2RAB9ANPC1TP53NFKB1
SCHEMBL9500282 0.90 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53NFKB1
SCHEMBL9500177 0.90 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53NFKB1
SCHEMBL9500839 0.90 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53NFKB1
SCHEMBL9500862 0.90 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53NFKB1
SCHEMBL9500068 0.90 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53NFKB1
SCHEMBL9498680 0.89 NPC1 (0.41) SMN1; SMN2RAB9ANPC1TP53NFKB1
SCHEMBL9500363 0.83 SMN1; SMN2 (0.38) SMN1; SMN2RAB9ANPC1TP53GAA
SCHEMBL9502022 0.81 CCR1 (0.44) SMN1; SMN2RAB9ANPC1TP53NFKB1

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