SCHEMBL9770860

SCHEMBL9770860

CC(C)(C)C(=O)C(CC1CC1)C(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ANPEP P15144 2/20 0.32
ENPEP Q07075 2/20 0.32
LIPA P38571 1/20 0.32

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
SCHEMBL17789262 0.78 ANPEP (0.38) CTSSCTSKTHRATHRBANPEP
SCHEMBL2317832 0.75 METAP2 (0.40) CTSSCTSKTHRB
SCHEMBL31678956 0.75 ANPEP (0.36) CTSSCTSKANPEPENPEP
SCHEMBL24024104 0.74 CTSK (0.38) CTSSCTSK
SCHEMBL12250662 0.74 CTSK (0.38) CTSSCTSK
SCHEMBL24024008 0.74 CTSK (0.38) CTSSCTSK
SCHEMBL12301933 0.72 CTSK (0.38) CTSSCTSK
SCHEMBL28301078 0.72 CPB2 (0.42) ANPEPENPEP
SCHEMBL22861926 0.71 CTSK (0.37) CTSSCTSKANPEPENPEP
SCHEMBL2438366 0.71 CTSK (0.40) CTSSCTSK

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-0223327-B1 TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-16 EP disclosed
US-4999043-A Triazolylmethyl tert-butyl carbinol derivatives which have plant growth regulating properties IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
US-4875922-A FUNGICIDES; PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-24 US disclosed
EP-0223327-A1 Triazolylmethyl-tert.-butyl-carbinol derivatives, processes for their preparation and their use as plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-27 EP disclosed