SCHEMBL4864301

SCHEMBL4864301

CCO[Sn](OCC)(OCC)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 2/20 0.39
CDC25B P30305 2/20 0.38
HPRT1 P00492 1/20 0.38
TSHR P16473 2/20 0.37
HTR1B P28222 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
HTR1D P28221 1/20 0.35

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
SCHEMBL4864336 0.78 ALDH1A1 (0.43) HPGDKDM4EALDH1A1CYP2A6HPRT1
SCHEMBL5952012 0.70 ALDH1A1 (0.48) HPGDALDH1A1CYP2A6HPRT1TSHR
SCHEMBL1453289 0.68 HTR1B (0.40) KDM4EALDH1A1CYP2A6HTR1BTDP1
Chrysene SCHEMBL17075382 0.67 HPRT1 (0.64) HPGDKDM4ELMNAALDH1A1CYP2A6
SCHEMBL8052201 0.66 ALDH1A1 (0.46) HPGDALDH1A1CYP2A6CDC25BHPRT1
SCHEMBL10916663 0.66 CYP1A2 (0.48) HPGDALDH1A1CYP2A6CDC25BHPRT1
SCHEMBL15529474 0.66 ALDH1A1 (0.46) HPGDALDH1A1CYP2A6CDC25BHPRT1
SCHEMBL8056327 0.66 CYP1A2 (0.48) HPGDALDH1A1CYP2A6CDC25BHPRT1
SCHEMBL11761232 0.66 CYP1A2 (0.48) HPGDALDH1A1CYP2A6CDC25BHPRT1
SCHEMBL8056313 0.66 ALDH1A1 (0.46) HPGDALDH1A1CYP2A6CDC25BHPRT1

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
US-7393560-B2 Organo-metal compounds BRAGGONE OY (FI) 2008-07-01 US claimed
US-20060263621-A1 Novel organo-metal compounds BRAGGONE OY (FI) 2006-11-23 US claimed
US-7393560-B2 Organo-metal compounds BRAGGONE OY (FI) 2008-07-01 US disclosed
US-20060263621-A1 Novel organo-metal compounds BRAGGONE OY (FI) 2006-11-23 US disclosed