SCHEMBL8999638

SCHEMBL8999638

CS(=O)(=O)N(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
AR P10275 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
HPGD P15428 1/20 0.60
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53

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
SCHEMBL11266317 0.79 CA12 (0.70) ARSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2004893 0.79 AR (0.64) ARSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL10186908 0.78 MEN1 (0.75) ALDH1A1ARSMN1; SMN2RAB9ANPC1
SCHEMBL874437 0.78 AR (0.62) ARSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL4667240 0.78 PTPN1 (0.61) ALDH1A1ARSMN1; SMN2RAB9ANPC1
SCHEMBL339813 0.78 LMNA (0.82) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL27367676 0.78 LMNA (0.82) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL11268094 0.76 NOX1 (0.74) SMN1; SMN2RAB9ALMNACYP1A2PTGS1
SCHEMBL11548098 0.76 MAOB (0.59) ARSMN1; SMN2RAB9ACA12CA1
Benzylphenylether SCHEMBL8999674 0.76 AR (0.69) ALDH1A1ARSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484780-A CARDIOVASCULAR, HYPOTENSIVE ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed
US-5401851-A Preparation of proline derivatives ELI LILLY AND COMPANY (US) 1995-03-28 US disclosed
EP-0573271-A1 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-08 EP disclosed