SCHEMBL9501828

SCHEMBL9501828

NC(=O)NCC1=CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
NOTUM Q6P988 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL20825056 0.80 SIGMAR1 (0.45) NOTUMHTTSMN1; SMN2SIGMAR1SRD5A1
SCHEMBL27821528 0.80 NOTUM (0.42) NOTUMHTTSMN1; SMN2SIGMAR1SRD5A1
SCHEMBL15079041 0.78 SRD5A1 (0.40) MTNR1AMTNR1BSMN1; SMN2SRD5A1SRD5A2
SCHEMBL20192293 0.78 NPC1 (0.48) MTNR1AMTNR1BSMN1; SMN2POLBNPC1
SCHEMBL15079053 0.78 HSP90AA1 (0.43) SMN1; SMN2SIGMAR1POLBSRD5A1SRD5A2
SCHEMBL15059721 0.77 NR1H4 (0.52) SIGMAR1NPC1RAB9ACYP2C19
SCHEMBL20824984 0.76 SIGMAR1 (0.43) MTNR1AMTNR1BHTTSMN1; SMN2SIGMAR1
SCHEMBL16263332 0.76 SIGMAR1 (0.46) HTTSMN1; SMN2SIGMAR1KDM4CNPC1
SCHEMBL2674626 0.76 SIGMAR1 (0.43) NOTUMHTTSIGMAR1SRD5A1SRD5A2
SCHEMBL7401882 0.74 SIGMAR1 (0.45) NOTUMSIGMAR1SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP claimed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP claimed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP disclosed