SCHEMBL3786885

SCHEMBL3786885

PCCCCCCCC(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.36
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 3/20 0.32
CYP2A6 P11509 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 4/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
KEAP1 Q14145 1/20 0.31
HTR1B P28222 1/20 0.31
HRH3 Q9Y5N1 4/20 0.31
HTR2A P28223 2/20 0.31
HTR7 P34969 2/20 0.31
HTR6 P50406 2/20 0.31
HPRT1 P00492 1/20 0.30
KCNA3 P22001 1/20 0.30

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
SCHEMBL9744447 0.79 ACP3 (0.36) ACP3KIF11ALDH1A1TSHRHSD17B10
SCHEMBL1818271 0.75 KCNA3 (0.35) ACP3KIF11TDP1HTR1BHRH3
SCHEMBL8019682 0.74 ACP3 (0.39) ACP3KIF11ALDH1A1CYP2A6TSHR
SCHEMBL20483733 0.74 ACP3 (0.36) ACP3ALDH1A1CYP2A6TSHRHSD17B10
Tetrabuthylammonium SCHEMBL11969818 0.71 CHAT (0.33) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL624788 0.71 ACP3 (0.35) ACP3KIF11TDP1CYP1A2HPGD
SCHEMBL31516172 0.71 ACP3 (0.35) ACP3KIF11TDP1CYP1A2HPGD
Ammonia Solution, Strong SCHEMBL15094349 0.70 ACP3 (0.35) ACP3KIF11TDP1CYP1A2HPGD
SCHEMBL6647653 0.70 KIF11 (0.57) KIF11CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL2945852 0.70 KIF11 (0.57) KIF11CYP1A2CYP2C19CYP2C9CYP3A4

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-20100291374-A1 Composites Comprising Nanoparticles AJJER LLC (US) 2010-11-18 US disclosed