SCHEMBL7962845

SCHEMBL7962845

CCCCC([O])NCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.34
SLC15A1 P46059 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32
DNM1 Q05193 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
SCHEMBL7965302 0.78
SCHEMBL17088072 0.76 ADRB2 (0.49) EPHX1TSHRALDH1A1CYP3A4ADH1B
SCHEMBL20016418 0.76 ADRB2 (0.49) EPHX1TSHRALDH1A1CYP3A4ADH1B
SCHEMBL7964011 0.76 DNM1 (0.40) EPHX1TSHRALDH1A1CYP3A4CA1
SCHEMBL9201131 0.75
SCHEMBL23774767 0.73 ALDH1A1 (0.37) EPHX1TSHRALDH1A1CYP3A4SLC15A1
SCHEMBL18756111 0.73 EPHX1 (0.41) EPHX1TSHRALDH1A1CYP3A4TRPM8
SCHEMBL6701244 0.73 ADRB2 (0.39) EPHX1TSHRALDH1A1CYP3A4SLC15A1
SCHEMBL7963141 0.71 SLC15A1 (0.35) EPHX1TSHRALDH1A1CYP3A4SLC15A1
SCHEMBL7008293 0.70

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 8 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-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP 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-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO 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