SCHEMBL17533478

SCHEMBL17533478

CCCCCCCCCC[C@H](C)/C=C/C(I)I

nearest known ligand 0.39

Predicted protein targets (top 20)

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
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
MAPT P10636 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
FFAR1 O14842 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
FDPS P14324 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
SCHEMBL11785440 0.89 OPRM1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL31538372 0.78 LMNA (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL31538378 0.78 LMNA (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL31538309 0.78 LMNA (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11973521 0.77 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2009177 0.77 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11973524 0.77 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2000390 0.77 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2009176 0.77 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13293105 0.77 OPRM1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260533-B2 Methods of generating libraries and uses thereof ANAPTYSBIO, INC. (US) 2016-02-16 US disclosed