SCHEMBL9306489

SCHEMBL9306489

C[CH]NC(C)CCCCC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.63
ADH1C P00326 1/20 0.63
ADH1A P07327 1/20 0.63
ADH4 P08319 1/20 0.63
ADH7 P40394 1/20 0.63
OPRM1 P35372 1/20 0.42
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
ADRB2 P07550 4/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
DNM1 Q05193 1/20 0.33
MLYCD O95822 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
TRPA1 O75762 1/20 0.32
DDAH1 O94760 1/20 0.32
GAPDH P04406 1/20 0.32
MAPT P10636 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
SCHEMBL6718140 0.93
SCHEMBL543188 0.82
SCHEMBL22157522 0.82 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22157525 0.82 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5003472 0.79 ADH1B (0.96) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22157532 0.79 ADH1B (0.61) ADH1BADH1CADH1AADH4ADH7
SCHEMBL30583121 0.79 ADH1B (0.96) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22419900 0.79 ADH1B (0.61) ADH1BADH1CADH1AADH4ADH7
SCHEMBL277250 0.79 ADH1B (0.96) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15946111 0.79 ADH1B (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354729-A Controlling weeds at low dosage; nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-10-11 US disclosed
EP-0579469-A2 N-acyldihydroquinoline derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-01-19 EP disclosed