SCHEMBL7968803

SCHEMBL7968803

CCCCC(C)NCC[O]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
ADRB2 P07550 8/20 0.39
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
DPP7 Q9UHL4 1/20 0.33
SLC15A1 P46059 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 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
SCHEMBL28579389 0.93 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7961379 0.86
SCHEMBL31008640 0.85 ADRB2 (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28726709 0.83 ADRB2 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20016406 0.83 SIGMAR1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24337442 0.83 ADRB2 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15505245 0.83 SIGMAR1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL26363864 0.81 ALDH1A1 (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7965428 0.81
SCHEMBL19527102 0.80 ADRB2 (0.38) 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