SCHEMBL7968098

SCHEMBL7968098

CCCC(CC)NC(C)[O]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL7927963 0.86 ALDH1A1 (0.37)
SCHEMBL5167639 0.84
SCHEMBL277289 0.81 LMNA (0.33) TAS1R3TAS1R1HDAC7HDAC8HDAC6
SCHEMBL11527637 0.80
SCHEMBL18576568 0.79 SLC6A4 (0.38) TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL11527843 0.78 ABCC3 (0.30)
SCHEMBL22642529 0.77 TSHR (0.32) TAS1R3TAS1R1
SCHEMBL10648961 0.75
SCHEMBL20632266 0.75 TSHR (0.36) TAS1R3TAS1R1HDAC7HDAC8HDAC6
SCHEMBL2058301 0.75 TSHR (0.36) TAS1R3TAS1R1HDAC7HDAC8HDAC6

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 5 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
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed