SCHEMBL7312356

SCHEMBL7312356

CC1CCC(=CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
ELANE P08246 4/20 0.36
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CDK9 P50750 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL1931528 0.85 ELANE (0.38) ESR2ELANEMAPK1
SCHEMBL6974068 0.83 HRH3 (0.39) ESR2ELANEMAPK1ALDH1A1KMT2A
SCHEMBL25647202 0.83 ESR2 (0.35) ESR2ELANEALDH1A1KMT2A
SCHEMBL6562501 0.83 BTK (0.39) ESR2ELANEKMT2A
SCHEMBL15628142 0.81 HK2 (0.39) ESR2ELANECDK9
SCHEMBL7299181 0.81 ELANE (0.36) ESR2ELANE
SCHEMBL1931297 0.81 ELANE (0.36) ESR2ELANE
SCHEMBL22728413 0.80 CTSK (0.35) ESR2ELANEALDH1A1KMT2AKDM4E
SCHEMBL7308248 0.79 ELANE (0.35) ELANE
SCHEMBL26964726 0.78 BTK (0.38) ESR2ELANEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed