SCHEMBL11245635

SCHEMBL11245635

CC(C)(C)C1CCC(C#N)(NC(=O)C(Cl)Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.40
CTSS P25774 13/20 0.37
CTSK P43235 10/20 0.37
CTSB P07858 7/20 0.37
CTSC P53634 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 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
SCHEMBL11256458 0.80 CTSL (0.40) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL11247776 0.79 CTSL (0.35) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11252268 0.79 RXFP1 (0.42) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11258952 0.77 RXFP1 (0.44) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11251570 0.77 RXFP1 (0.44) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11252123 0.77 RXFP1 (0.44) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11268552 0.76 CTSL (0.35) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11258789 0.71 CTSS (0.37) CTSLCTSSCTSKCTSBCTSC
SCHEMBL22068061 0.70 CYP1A2 (0.32)
SCHEMBL8134226 0.69 EPHX1 (0.32)

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-4335053-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed
US-4288384-A N-Cyanoalkyl haloacetamides herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1981-09-08 US disclosed