SCHEMBL16638368

SCHEMBL16638368

Cc1ccccc1-c1ccccc1Sc1ccc(S(=O)(=O)CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
MMP13 P45452 7/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
S100A4 P26447 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL18698677 0.80 PTGS2 (0.45) CA2CA12CA1CA9TDP1
SCHEMBL15580594 0.76 TDP1 (0.40) CA2S100A4CDC25ACDC25BTDP1
SCHEMBL15606260 0.74 NR1H2 (0.45) TDP1NPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL19365898 0.73 MAPT (0.50) TDP1NPC1RAB9AALDH1A1CYP3A4
SCHEMBL12361695 0.73 MAPT (0.47) CDC25ACDC25BTDP1NPC1RAB9A
SCHEMBL18903345 0.72 RAB9A (0.46) CA2MMP13CA12CA1CA9
SCHEMBL15834156 0.71 TP53 (0.38) TDP1NPC1RAB9AALDH1A1KMT2A
SCHEMBL3282090 0.69 TSHR (0.43) CA2CA12CA1CA9NPC1
SCHEMBL9325260 0.69 CA2 (0.78) CA2POLBALDH1A1CYP3A4CYP2C9
SCHEMBL18431425 0.69 MAPT (0.49) CA2CA12CA1CA9CDC25B

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-9005870-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-04-14 US disclosed