SCHEMBL8894760

SCHEMBL8894760

COC(=O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PLAAT3 P53816 1/20 0.45
▸ PLAAT5 Q96KN8 1/20 0.45
▸ PLAAT2 Q9NWW9 1/20 0.45
▸ PLAAT4 Q9UL19 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ PLAU P00749 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
SCHEMBL8895584 0.94 ALDH1A1 (0.46) ALDH1A1CA7ATML3MBTL1GAA
SCHEMBL8896474 0.91 ADAMTS5 (0.49) ALDH1A1ATML3MBTL1GAA
SCHEMBL8895500 0.91 IDO1 (0.50) ALDH1A1ATML3MBTL1TDP1GAA
SCHEMBL8897619 0.91 IDO1 (0.50) ALDH1A1TDP1NPSR1MMP9CYP3A4
SCHEMBL8895597 0.91 ALDH1A1 (0.53) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8896413 0.91 ALDH1A1 (0.45) ALDH1A1CA7ATML3MBTL1NPSR1
SCHEMBL8896200 0.91 EGFR (0.45) ALDH1A1CA2CA7TDP1NPSR1
SCHEMBL8895989 0.91 UTS2R (0.51) ALDH1A1TDP1GAANPSR1CYP3A4
SCHEMBL8895835 0.91 NPSR1 (0.53) ALDH1A1CA2CA7ATML3MBTL1
SCHEMBL8896241 0.88 ADAMTS5 (0.48) ALDH1A1ATML3MBTL1GAA

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
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 — — US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 — — EP disclosed
Send feedback