SCHEMBL9741664

SCHEMBL9741664

CCOC(=O)C=CC(CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ METAP2 P50579 1/20 0.36

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
SCHEMBL7295848 1.00 CTSK (0.48) CTSKCTSSCTSLCTSBAAK1
SCHEMBL7376384 1.00 CTSK (0.48) CTSKCTSSCTSLCTSBAAK1
SCHEMBL9741659 1.00 CTSK (0.48) CTSKCTSSCTSLCTSBAAK1
SCHEMBL7381049 0.89 CTSK (0.51) CTSKCTSSCTSLCTSBAAK1
SCHEMBL8021226 0.89 CTSK (0.51) CTSKCTSSCTSLCTSBAAK1
SCHEMBL10270880 0.85 CTSK (0.46) CTSKCTSSCTSLCTSBAAK1
SCHEMBL9104071 0.85 CTSK (0.55) CTSKCTSSCTSLCTSBAAK1
SCHEMBL9104062 0.85 CTSK (0.55) CTSKCTSSCTSLCTSBAAK1
SCHEMBL19337882 0.85 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30154195 0.85 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19

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-5122610-A Renin inhibitor intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-06-16 — — US disclosed
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