SCHEMBL8523784

SCHEMBL8523784

CS(=O)(=O)Nc1ccccc1OC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.61
PTGS2 P35354 6/20 0.61
CYP19A1 P11511 3/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
PTGES O14684 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
MRGPRX1 Q96LB2 1/20 0.55
CARM1 Q86X55 1/20 0.43
PRMT1 Q99873 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL9501963 0.85 CYP19A1 (0.47) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL9511659 0.85 MRGPRX1 (0.47) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL9501563 0.81 MRGPRX1 (0.49) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL8979023 0.80 PTGS2 (0.57) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL9501603 0.80 PTGS2 (0.43) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL9503479 0.80 MRGPRX1 (0.43) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL9501943 0.80 CYP19A1 (0.43) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL8091326 0.78 CYP19A1 (0.67) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL9576105 0.77 PTGS2 (0.47) PTGS1PTGS2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL28333036 0.77 MRGPRX1 (0.46) SMN1; SMN2ALOX15TSHRMRGPRX1CARM1

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-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed
EP-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0317332-A2 Sulfonanilide compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-05-24 EP disclosed