SCHEMBL9895326

SCHEMBL9895326

O=C(O)c1cc(C(=O)O)c(SSc2c(C(=O)O)cc(C(=O)O)cc2C(=O)O)c(C(=O)O)c1.O=CC(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.36
TTR P02766 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 4/20 0.32
HPGD P15428 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
HCAR1 Q9BXC0 1/20 0.32
DAO P14920 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CA3 P07451 1/20 0.32
MAPT P10636 1/20 0.32
SELL P14151 1/20 0.32

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
SCHEMBL6516789 0.84 CA12 (0.44) TPMTTTRCA12CA1CA2
SCHEMBL7541938 0.66 ALDH1A1 (0.43) TPMTTTRCA12CA1CA2
SCHEMBL9895707 0.66 POLB (0.47) CA12CA1CA2CA7CA9
SCHEMBL11257407 0.65 TPMT (0.56) TPMTTTRCA12CA1CA2
SCHEMBL9670707 0.65 TPMT (0.44) TPMTTTRCA12CA1CA2
Hydrogen Peroxide SCHEMBL28362595 0.63 ALDH1A1 (0.40) ALDH1A1TP53TSHR
SCHEMBL29659433 0.62 CA12 (0.48) TPMTTTRCA12CA1CA2
SCHEMBL335300 0.62 CA12 (0.48) TPMTTTRCA12CA1CA2
SCHEMBL23503 0.62 CA12 (0.48) TPMTTTRCA12CA1CA2
SCHEMBL2728246 0.62 CA12 (0.59) TPMTTTRCA12CA1CA2

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-8907020-B2 Golf ball SRI SPORTS LIMITED (JP) 2014-12-09 US claimed
US-8907020-B2 Golf ball SRI SPORTS LIMITED (JP) 2014-12-09 US disclosed
US-20120149496-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed