SCHEMBL7968802

SCHEMBL7968802

CCCCC(C)NC(C)[O]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
SLC15A1 P46059 1/20 0.35
DNM1 Q05193 2/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
FDPS P14324 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
ADRB2 P07550 4/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL7961376 0.84
SCHEMBL276930 0.84 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10952637 0.79 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL12201612 0.79 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24672303 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL23902076 0.79 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7927963 0.76 ALDH1A1 (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL277270 0.76 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16223598 0.74 ADH1B (0.58) ADH1BADH1CADH1AADH4ADH7
SCHEMBL570864 0.74 ADH1B (0.58) ADH1BADH1CADH1AADH4ADH7

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 7 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
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