SCHEMBL6606470

SCHEMBL6606470

CCCC[CH]C(CCCCCCCC)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
DNM1 Q05193 3/20 0.36
TSHR P16473 3/20 0.35
THRB P10828 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
GPR84 Q9NQS5 2/20 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
SCHEMBL28814471 0.79 SPHK1 (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27277769 0.79 SPHK1 (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10337471 0.78 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28100027 0.77 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28100011 0.77 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5091088 0.77 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15544474 0.74 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15544473 0.74 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13279660 0.73 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3675293 0.73 TSHR (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed
EP-0923569-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-06-23 EP disclosed
WO-1998006711-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed