SCHEMBL8198049

SCHEMBL8198049

C=CC(C)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.53
CTSK P43235 5/20 0.53
CTSB P07858 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGDS O60760 2/20 0.48
CTSL P07711 7/20 0.47
PTPN1 P18031 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
GAA P10253 1/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
PSMB5 P28074 2/20 0.43

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
SCHEMBL8197267 0.81 CTSB (0.46) CTSSCTSKCTSBL3MBTL1HPGDS
SCHEMBL8198036 0.80 CTSL (0.53) CTSSCTSKCTSBCTSL
SCHEMBL8053336 0.75 CTSL (0.51) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5711379 0.75 CTSL (0.57) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5711376 0.75 CTSL (0.57) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL2632872 0.75 PTPN1 (0.74) CTSSCTSKCTSBL3MBTL1HPGDS
SCHEMBL8196220 0.75 PTPN1 (0.74) CTSSCTSKCTSBL3MBTL1HPGDS
SCHEMBL8197423 0.73 CTRB1 (0.44) L3MBTL1RAB9ANPC1CA2
SCHEMBL5926493 0.72 PTPN1 (0.62) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL3991795 0.72 PTPN1 (0.62) CTSSCTSKCTSBL3MBTL1CTSL

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
EP-0413762-B1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN INT INC (US) 2000-07-12 EP disclosed
EP-0413762-A4 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES 1992-01-15 EP disclosed
EP-0413762-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INCORPORATED (US) 1991-02-27 EP disclosed
WO-1989010961-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INC. (US) 1989-11-16 WO disclosed