SCHEMBL9726975

SCHEMBL9726975

CCC[C@H](NC(=O)C(Cc1cccs1)CS(=O)(=O)C(C)(C)C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
CTSS P25774 2/20 0.40
BIRC2 Q13490 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
CTSL P07711 1/20 0.38
CTSC P53634 1/20 0.37
RAB9A P51151 1/20 0.37
HSPA5 P11021 1/20 0.36
USP30 Q70CQ3 5/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
BACE1 P56817 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7376950 0.90 FNTA (0.48) CTSKCTSSFNTAFNTBPGGT1B
SCHEMBL10438877 0.82 CTSK (0.38) CTSKCTSSBIRC2CTSLHSPA5
SCHEMBL8910216 0.75 CYP2C19 (0.54) CTSKCTSSFNTAFNTBPGGT1B
SCHEMBL9444929 0.75 CYP2C19 (0.54) CTSKCTSSFNTAFNTBPGGT1B
SCHEMBL7372917 0.75 CYP2C19 (0.54) CTSKCTSSFNTAFNTBPGGT1B
SCHEMBL7378502 0.73 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7371297 0.69 HRH4 (0.50) CTSKCTSSHDAC3HDAC4HDAC1
SCHEMBL14164208 0.68 CTSK (0.68) CTSKCTSSCTSLCTSCRAB9A
SCHEMBL6661586 0.68 RAB9A (0.50) CTSKCTSSCTSCRAB9AHDAC1
SCHEMBL6661590 0.68 RAB9A (0.50) CTSKCTSSCTSCRAB9AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169841-A Enzyme inhibitors, hypotensive agents, high enteral bioauailability HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed