SCHEMBL9538431

SCHEMBL9538431

Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
ALDH1A1 P00352 4/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
TSHR P16473 1/20 0.54
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 3/20 0.52
KMT2A Q03164 3/20 0.48
PTPRC P08575 1/20 0.46
MEN1 O00255 2/20 0.45
C5AR1 P21730 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL9538438 1.00 ESR1 (0.59) ESR1ALDH1A1CA12CA9TSHR
SCHEMBL7365220 0.94 ESR1 (0.54) ESR1ALDH1A1CA12CA9TSHR
SCHEMBL8653120 0.91 ESR1 (0.61) ESR1ALDH1A1TSHRKEAP1NFE2L2
SCHEMBL10798490 0.90 ESR1 (0.49) ESR1ALDH1A1CA12CA9TSHR
SCHEMBL27591355 0.88 ESR1 (0.60) ESR1ALDH1A1CA12CA9TSHR
SCHEMBL5642165 0.87 ALDH1A1 (0.55) ESR1ALDH1A1CA12CA9TSHR
SCHEMBL8141534 0.84 CA9 (0.56) ALDH1A1CA12CA9TSHRKEAP1
SCHEMBL5644407 0.82 OXTR (0.57) ALDH1A1TSHRKEAP1NFE2L2KMT2A
SCHEMBL7446870 0.81 HTR2C (0.59) ESR1ALDH1A1KMT2AMEN1
SCHEMBL7826530 0.81 ESR1 (0.55) ESR1ALDH1A1CA12CA9KEAP1

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
EP-0152345-B1 INTERFERON ADMINISTRATION VEHICLES INTERFERON SCIENCES, INC a Delaware Corporation (US) 1993-07-28 EP claimed