SCHEMBL9895330

SCHEMBL9895330

O=C(Cl)OC(=O)c1cccc(C(=O)OC(=O)Cl)c1S

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 7/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CFTR P13569 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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 0.82 TSHR (0.46) ALDH1A1ALOX15TSHRTDP1LMNA
SCHEMBL9897059 0.79 ITGB1 (0.38) MAPTHDAC8ALDH1A1TSHRKDM4E
SCHEMBL9896122 0.78
SCHEMBL9895706 0.78 ALDH1A1 (0.32) MAPTALDH1A1ALOX15TSHRKDM4E
SCHEMBL28035137 0.75 NR4A1 (0.55) MAPTHDAC8ALDH1A1KDM4ELMNA
SCHEMBL8511492 0.74 TSHR (0.57) MAPTALDH1A1ALOX15TSHRKDM4E
SCHEMBL3806746 0.73 NPC1 (0.47) MAPTTSHRLMNA
SCHEMBL30623705 0.73 NPC1 (0.47) MAPTTSHRLMNA
SCHEMBL9894863 0.71
Bicarbonate SCHEMBL27331839 0.69 NPC1 (0.47) MAPTTSHRLMNA

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