SCHEMBL11085304

SCHEMBL11085304

Cc1ccc(S(=O)(O)(O)c2ccc(C)cc2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
TRPA1 O75762 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL3887558 0.71 TSHR (0.43) TDP1TRPA1ALDH1A1NPC1RAB9A
Formaldehyde SCHEMBL26618259 0.67 TDP1 (0.48) TDP1TP53MEN1KMT2AALDH1A1
Formaldehyde SCHEMBL11059012 0.67 TRPA1 (0.56) TDP1TP53TRPA1MEN1KMT2A
Formaldehyde SCHEMBL11059008 0.67 TP53 (0.85) TDP1TP53TRPA1MEN1KMT2A
SCHEMBL31498554 0.66 TDP1 (0.52) TDP1TP53TRPA1SMN1; SMN2ALDH1A1
SCHEMBL31547677 0.66 TDP1 (0.52) TDP1TP53TRPA1MEN1KMT2A
SCHEMBL3043421 0.66 TDP1 (0.52) TDP1TP53TRPA1MEN1KMT2A
SCHEMBL3884170 0.65 TDP1 (0.44) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
Ethylene SCHEMBL25437124 0.64 TDP1 (0.50) TDP1TP53TRPA1SMN1; SMN2ALDH1A1
Hydrogen Peroxide SCHEMBL4451014 0.64 TDP1 (0.57) TDP1TP53TRPA1MEN1KMT2A

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-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 US disclosed