SCHEMBL7482121

SCHEMBL7482121

CCN(CC)c1ccc(C2(/C=C(\c3ccc(Cl)cc3)c3c(C)n(CC)c4ccccc34)OC(=O)c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
CNR2 P34972 3/20 0.34
MDM2 Q00987 5/20 0.33
CXCR3 P49682 1/20 0.32
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
GLA P06280 1/20 0.31
LMNA P02545 2/20 0.31
CNR1 P21554 2/20 0.31
GMNN O75496 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 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
SCHEMBL7477653 0.94 MEN1 (0.34) SRD5A1SRD5A2CNR2MAPTHTT
SCHEMBL7479433 0.94 SRD5A1 (0.33) SRD5A1SRD5A2CNR2MAPTHTT
SCHEMBL7482470 0.93 SRD5A1 (0.32) SRD5A1SRD5A2CNR2MAPTLMNA
SCHEMBL25608 0.92 ALDH1A1 (0.34) CNR2MAPTHTTLMNACNR1
SCHEMBL29386399 0.92 ALDH1A1 (0.34) CNR2MAPTHTTLMNACNR1
SCHEMBL7482195 0.91 CNR1 (0.39) CNR2MAPTHTTCNR1MAPK1
SCHEMBL5512734 0.89 ALDH1A1 (0.34) SRD5A1SRD5A2MDM2MAPTHTT
SCHEMBL7483499 0.88 MAPT (0.34) SRD5A1SRD5A2CNR2MAPTHTT
SCHEMBL7477171 0.88 CNR2 (0.32) CNR2MAPTLMNACNR1CYP1A2
SCHEMBL7481955 0.86 MEN1 (0.33) SRD5A1SRD5A2CNR2MAPTHTT

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-0664292-B1 A phtalide compound and a near infrared absorber and a recording material each comprising the same compound YAMAMOTO CHEMICALS INC (JP) 2002-06-19 EP disclosed
US-5627287-A COLORLESS YAMAMOTO CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0664292-A1 A phtalide compound and a near infrared absorber and a recording material each comprising the same compound YAMAMOTO CHEMICALS, INC. (JP) 1995-07-26 EP disclosed