SCHEMBL8895525

SCHEMBL8895525

COC(=O)CCCc1ccc(C(CCCC(C)C)NS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADAMTS4 O75173 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
IDO1 P14902 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL8895376 0.98 SIGMAR1 (0.41) SIGMAR1NPSR1GFERFFAR1FFAR4
SCHEMBL8897514 0.95 NPSR1 (0.42) SIGMAR1NPSR1GFERFFAR1FFAR4
SCHEMBL8894981 0.91 FFAR1 (0.48) SIGMAR1NPSR1GFERFFAR1FFAR4
SCHEMBL8418078 0.91 SIGMAR1 (0.39) SIGMAR1NPSR1GFERFFAR1FFAR4
SCHEMBL8896362 0.90 IDO1 (0.50) NPSR1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL8895305 0.90 UTS2R (0.46) NPSR1ALDH1A1SMN1; SMN2POLBIDO1
SCHEMBL8896101 0.90 FFAR1 (0.47) SIGMAR1NPSR1GFERFFAR1FFAR4
SCHEMBL8896727 0.90 NPSR1 (0.51) SIGMAR1NPSR1GFERFFAR1FFAR4
SCHEMBL8896944 0.90 ALDH1A1 (0.44) NPSR1ALDH1A1CA12CA7CA9
SCHEMBL8897755 0.89 FFAR1 (0.47) SIGMAR1NPSR1GFERFFAR1FFAR4

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