SCHEMBL9875978

SCHEMBL9875978

CS(=O)(=O)CCc1cccc(C(=O)O)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.51
CASP7 P55210 1/20 0.51
CASP6 P55212 1/20 0.51
HMGB1 P09429 2/20 0.45
IKBKB O14920 1/20 0.41
FOLH1 Q04609 2/20 0.41
ALOX15 P16050 2/20 0.40
MMP2 P08253 1/20 0.40
CLCN2 P51788 1/20 0.39
LMNA P02545 2/20 0.38
ABCB11 O95342 1/20 0.38
PTGS1 P23219 1/20 0.38
ADORA1 P30542 1/20 0.38
PTGS2 P35354 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MYC P01106 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9875842 0.83 G6PD (0.47) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL17433852 0.82 CLCN2 (0.50) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL21723958 0.82 G6PD (0.46) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL5135887 0.81 G6PD (0.56) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL808482 0.79 G6PD (0.57) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL30762619 0.79 G6PD (0.57) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL7157314 0.79 G6PD (0.53) G6PDCASP7CASP6HMGB1ALOX15
SCHEMBL7720169 0.78 G6PD (0.56) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL6832900 0.78 G6PD (0.56) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL27902532 0.78 G6PD (0.55) G6PDCASP7CASP6HMGB1FOLH1

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
EP-0408546-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS. CANCER RES CAMPAIGN TECH (GB) 1991-01-23 EP claimed
WO-1988007378-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1988-10-06 WO claimed