SCHEMBL8946099

SCHEMBL8946099

CCCNC(CC(c1ccccc1)C(C)(C)C(N)=O)c1sccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
RPS6KB1 P23443 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8945990 0.92 ALOX5 (0.36) ALOX5CXCR1CXCR2NR3C1OPRD1
SCHEMBL8945873 0.87 ALOX5 (0.37) ALOX5NR3C1
SCHEMBL8946098 0.72 MEN1 (0.44) ALOX5CXCR1CXCR2PGRSCN1A
SCHEMBL8945911 0.71 ALOX5 (0.36) ALOX5NR3C1LMNAMAPTCYP1A2
SCHEMBL8945890 0.70 ALOX5 (0.37) ALOX5NR3C1MAPTRPS6KB1ALDH1A1
SCHEMBL9425081 0.69 PGR (0.40) CXCR1CXCR2PGRSCN1ASCN2A
SCHEMBL8945937 0.68 ALOX5 (0.36) ALOX5LMNAMAPTRPS6KB1ALDH1A1
SCHEMBL9424902 0.67 SIGMAR1 (0.33) ALOX5CXCR1CXCR2PGRSCN1A
Hydrochloric Acid SCHEMBL8946104 0.67 ALOX5 (0.34) ALOX5LMNAMAPTRPS6KB1ALDH1A1
SCHEMBL8945826 0.66 ROCK1 (0.40) LMNAGAARPS6KB1SMN1; SMN2RIPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed