SCHEMBL3789172

SCHEMBL3789172

CC(C)(C)c1ccc([S+](c2ccc(OS(=O)(=O)c3ccccc3C(F)(F)F)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
HSD11B1 P28845 5/20 0.40
F2 P00734 2/20 0.39
ENPP1 P22413 2/20 0.37
POLB P06746 1/20 0.37
HSD17B3 P37058 1/20 0.36
SLC22A12 Q96S37 3/20 0.36
ENPP3 O14638 1/20 0.35
KIF11 P52732 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 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
Hydrogen Sulfide SCHEMBL14895203 0.91 CA1 (0.49) CA1CA2CA9MEN1KMT2A
SCHEMBL3776365 0.89 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTHSD11B1
Diphenylsulfane SCHEMBL4423381 0.84 CA1 (0.42) CA1CA2CA9MEN1KMT2A
SCHEMBL5445938 0.81 HSD11B1 (0.47) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL29754085 0.79 HSD11B1 (0.45) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL452162 0.79 HSD11B1 (0.45) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL19809922 0.79 MEN1 (0.49) CA1CA2CA9MEN1KMT2A
SCHEMBL3789167 0.76 HSD11B1 (0.45) MEN1KMT2AALDH1A1HSD11B1HSD17B3
SCHEMBL450233 0.74 GAA (0.53) MEN1KMT2AALDH1A1MAPTHSD11B1
SCHEMBL3777140 0.73 HSD11B1 (0.35) KMT2AHSD11B1SLC22A12RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858287-B2 Photosensitive resin, and photosensitive composition HYOGO PREFECTURE (JP) 2010-12-28 US disclosed
US-20090142697-A1 PHOTOSENSITIVE RESIN, AND PHOTOSENSITIVE COMPOSITION TOYO GOSEI CO., LTD. (JP) 2009-06-04 US disclosed