SCHEMBL9908980

SCHEMBL9908980

CCN(Cc1ccccc1)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(CC)Cc3cccc(C)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.47
CNR2 P34972 6/20 0.44
S1PR1 P21453 5/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CNR1 P21554 3/20 0.40
NR3C1 P04150 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIA2 P42262 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL9908983 0.94 TSHR (0.55) TSHRCYP2C19CNR2S1PR1NR1H2
SCHEMBL5010079 0.89 TSHR (0.64) TSHRCYP2C19CNR2NR1H2NR1H3
SCHEMBL9968788 0.84 CNR2 (0.47) CNR2S1PR1CNR1KMT2ATDP1
SCHEMBL9908985 0.83 S1PR1 (0.47) TSHRCYP2C19CNR2S1PR1NR1H2
SCHEMBL5011841 0.82 TSHR (0.70) TSHRCYP2C19CNR2NR1H2NR1H3
SCHEMBL3905890 0.82 TSHR (0.70) TSHRCYP2C19CNR2NR1H2NR1H3
SCHEMBL9658203 0.82 CYP2C19 (0.58) TSHRCYP2C19CNR2NR1H2NR1H3
SCHEMBL9908981 0.81 MAPT (0.44) TSHRCYP2C19CNR2ALDH1A1LMNA
SCHEMBL5011923 0.80 TSHR (0.48) TSHRCYP2C19CNR2S1PR1NR1H2
SCHEMBL9968784 0.78 CNR2 (0.52) CNR2S1PR1CNR1KMT2ATDP1

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
US-8999912-B2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 2015-04-07 US disclosed
US-8193143-B2 Laundry detergent composition comprising a highly water-soluble carboxymethyl cellulose particle THE PROCTER & GAMBLE COMPANY (US) 2012-06-05 US disclosed
US-20110034365-A1 Laundry Detergent Composition Comprising a Highly Water-Soluble Carboxymethyl Cellulose Particle THE PROCTER & GAMBLE COMPANY 2011-02-10 US disclosed