SCHEMBL3754366

SCHEMBL3754366

C=CC(Oc1ccc(S(=O)(=O)O)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SRD5A2 P31213 1/20 0.42
CYP2D6 P10635 2/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL4865335 0.83 SRD5A2 (0.42) MAPTSRD5A2
SCHEMBL3291158 0.79 SLC6A4 (0.39) TSHRALDH1A1MAPTSRD5A2
SCHEMBL8163510 0.78 CYP1A2 (0.42) SRD5A2
SCHEMBL4660421 0.76 TDP1 (0.44) TSHRSMN1; SMN2TDP1ALDH1A1MAPK1
SCHEMBL8625767 0.76 ALDH1A3 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A
SCHEMBL298040 0.76 TDP1 (0.47) TSHRSMN1; SMN2TDP1ALDH1A1MAPK1
SCHEMBL3294416 0.75 CA4 (0.46) TSHRSMN1; SMN2TDP1ALDH1A1LMNA
SCHEMBL778797 0.75 SRC (0.40) TSHRSMN1; SMN2TDP1ALDH1A1MAPK1
SCHEMBL3294031 0.75 NPSR1 (0.41) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL3295214 0.75 SLC6A4 (0.46) TDP1

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-7833690-B2 Photoacid generators and lithographic resists comprising the same THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2010-11-16 US disclosed
US-20070117043-A1 Photoacid generators and lithographic resists comprising the same NATIONAL SCIENCE FOUNDATION 2007-05-24 US disclosed