SCHEMBL9895706

SCHEMBL9895706

O=C(Cl)OC(=O)c1cccc(C(=O)OC(=O)Cl)c1SSc1c(C(=O)OC(=O)Cl)cccc1C(=O)OC(=O)Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
ALOX15 P16050 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL27485145 0.81 TSHR (0.46) ALDH1A1ALOX15TSHRTDP1LMNA
SCHEMBL9895083 0.80 ITGB1 (0.38) ALDH1A1POLBTSHRKDM4EMAPT
SCHEMBL9895078 0.78
SCHEMBL9895330 0.78 MAPT (0.34) ALDH1A1ALOX15TSHRKDM4EMAPT
SCHEMBL28035137 0.73 NR4A1 (0.55) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL30623705 0.72 NPC1 (0.47) TSHRMAPTLMNA
SCHEMBL3806746 0.72 NPC1 (0.47) TSHRMAPTLMNA
SCHEMBL9895309 0.70
SCHEMBL9895527 0.68
Bicarbonate SCHEMBL27331839 0.68 NPC1 (0.47) TSHRMAPTLMNA

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