SCHEMBL11177331

SCHEMBL11177331

COc1c(Cl)cc(S(=O)(=O)N2CCCCC2)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ CYP3A4 P08684 1/20 0.53
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.51
▸ MCOLN3 Q8TDD5 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL11183121 0.83 CYP2C9 (0.50) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL11183124 0.83 CYP2C9 (0.50) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL11175953 0.82 TSHR (0.69) TSHRCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL11876015 0.80 APEX1 (0.41) TSHRKMT2AMEN1MAPTGAA
SCHEMBL11876019 0.80 APEX1 (0.41) TSHRKMT2AMEN1MAPTGAA
SCHEMBL11175134 0.80 TSHR (0.66) TSHRCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL11173323 0.80 TSHR (0.66) TSHRCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL11167770 0.79 TSHR (0.54) TSHRCYP3A4KMT2AALDH1A1MAPT
SCHEMBL11165778 0.78 TSHR (0.64) TSHRCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL1001249 0.77 APEX1 (0.73) TSHRCYP3A4KMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377521-A ANTILIPEMIC PFIZER INC. (US) 1983-03-22 — — US disclosed
US-4138399-A Sulfamylbenzoic acid PFIZER INC. (US) 1979-02-06 — — US disclosed
US-4124590-A CARDIOVASCULAR DISORDERS, ANTILIPEMIC AGENTS PFIZER INC. (US) 1978-11-07 — — US disclosed
US-3992441-A ANTILIPEMIC PFIZER INC. (US) 1976-11-16 — — US disclosed
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