SCHEMBL7232122

SCHEMBL7232122

CC(C)C(CS(=O)(=O)N1CCC(=Cc2ccc(Cl)cc2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 1/20 0.46
▸ P2RX3 P56373 2/20 0.38
▸ SRD5A2 P31213 6/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LSS P48449 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ RORC P51449 1/20 0.36
▸ SRD5A1 P18405 1/20 0.35
▸ CTDSP1 Q9GZU7 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
SCHEMBL7230684 0.88 PROKR1 (0.43) PROKR1P2RX3L3MBTL1LMNATP53
SCHEMBL7429019 0.78 PROKR1 (0.34) PROKR1P2RX3SRD5A2
SCHEMBL6943048 0.76 MAPT (0.44) L3MBTL1LMNATP53MAPT
SCHEMBL6785651 0.72 EGLN1 (0.42) L3MBTL1
SCHEMBL6785646 0.72 EGLN1 (0.42) L3MBTL1
SCHEMBL6785884 0.71 MAPT (0.40) L3MBTL1LMNATP53MAPT
SCHEMBL6785879 0.71 MAPT (0.40) L3MBTL1LMNATP53MAPT
SCHEMBL17750085 0.70 LSS (0.51) PROKR1SRD5A2L3MBTL1LSSSRD5A1
SCHEMBL7270758 0.69 ALDH1A1 (0.42) L3MBTL1LMNA
SCHEMBL6786173 0.68 MMP13 (0.46) MAPT

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-6506764-B1 B-X-(CH2)m-CR1R2-(CH2)n-CO-Y (I) have therapeutic utility as inhibitors of metalloproteinases etc. for medicine by human articular cartilage cells and also involved in the destruction of myelin basic protein, a phenomenon associated with DARWIN DISCOVERY, LTD. (GB) 2003-01-14 — — US claimed
US-6506764-B1 B-X-(CH2)m-CR1R2-(CH2)n-CO-Y (I) have therapeutic utility as inhibitors of metalloproteinases etc. for medicine by human articular cartilage cells and also involved in the destruction of myelin basic protein, a phenomenon associated with DARWIN DISCOVERY, LTD. (GB) 2003-01-14 — — US disclosed
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