SCHEMBL7965314

SCHEMBL7965314

CCCCN(C[O])C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL13178779 0.85 MMP1 (0.33) MMP1MMP2MMP3MMP8TRPM8
SCHEMBL172366 0.85 MMP1 (0.33) MMP1MMP2MMP3MMP8TRPM8
SCHEMBL3312355 0.85 MMP1 (0.33) MMP1MMP2MMP3MMP8TRPM8
SCHEMBL7933657 0.84 MMP1 (0.32) MMP1MMP2MMP3MMP8TRPM8
SCHEMBL7776790 0.83 FDPS (0.34) MMP1MMP2MMP3MMP8TRPM8
Hydrochloric Acid SCHEMBL22575427 0.83 DNM1 (0.35) MMP1MMP2MMP3MMP8TRPM8
SCHEMBL29291864 0.81 DNM1 (0.40) MMP1MMP2MMP3MMP8TRPM8
SCHEMBL7963143 0.81 MMP1 (0.35) MMP1MMP2MMP3MMP8TRPM8
SCHEMBL7770538 0.81 CA12 (0.31) MMP1MMP2MMP3MMP8CA12
SCHEMBL9488380 0.79 DNM1 (0.44) TRPM8CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed