SCHEMBL8941626

SCHEMBL8941626

COC(=O)C(C)S(=O)(=O)Oc1cc(-c2ccccc2Cl)c2c(C)cc(C)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.38
▸ GRM2 Q14416 1/20 0.36
▸ TACR3 P29371 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ PDE2A O00408 2/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ PDE6A P16499 1/20 0.33
▸ PDE6G P18545 1/20 0.33
▸ PDE6B P35913 1/20 0.33
▸ PDE6C P51160 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE6H Q13956 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 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
SCHEMBL8941625 0.80 ELANE (0.37) ELANEGRM2TACR3PDE2APDE10A
SCHEMBL8941655 0.73 KMT2A (0.37) GRM2PDE2APDE10AGAAALDH1A1
SCHEMBL8941652 0.64 KMT2A (0.37) GRM2PDE2APDE10AMAPTGAA
SCHEMBL8941633 0.61 PLA2G7 (0.39) GRM2PDE2APDE10AMAPTLMNA
SCHEMBL9358713 0.58 GAA (0.50) MAPTLMNAGAATSHRHTT
SCHEMBL18520686 0.58 BRAF (0.36) ELANEGRM2PDE2APDE10AHSD17B10
SCHEMBL6139499 0.58 EPHX2 (0.39) MAPTLMNAGAATSHRHTT
SCHEMBL9890698 0.57 CASP1 (0.44) TACR3MAPTAKR1C3AKR1C2LMNA
SCHEMBL31449953 0.56 TSHR (0.41) MAPTAKR1C3AKR1C2LMNATSHR
SCHEMBL13403891 0.56 CXCL8 (0.46) ALDH1A1KMT2A

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
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 — — WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 — — US disclosed
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