SCHEMBL1713281

SCHEMBL1713281

C=CC[C@H](O)CCCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP3A4 P08684 3/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3360038 1.00 LMNA (0.39) LMNACYP3A4MEN1ALOX15KMT2A
SCHEMBL28731962 0.88 USP2 (0.35) CYP3A4TSHRCYP2C19FFAR1FFAR4
SCHEMBL28961040 0.86 CYP3A4 (0.38) CYP3A4MEN1ALOX15KMT2ATSHR
SCHEMBL22492533 0.82 FFAR1 (0.49) LMNATSHRFFAR1FFAR4ALDH1A1
SCHEMBL5907166 0.82 CYP3A4 (0.33) CYP3A4TSHRCYP2C19FFAR1FFAR4
SCHEMBL789882 0.82 FFAR1 (0.49) LMNATSHRFFAR1FFAR4ALDH1A1
SCHEMBL9685329 0.80 FFAR1 (0.52) LMNATSHRFFAR1FFAR4FAAH
SCHEMBL9685588 0.80 FFAR1 (0.52) LMNATSHRFFAR1FFAR4FAAH
SCHEMBL9334962 0.80 FFAR1 (0.52) LMNATSHRFFAR1FFAR4FAAH
SCHEMBL1712736 0.80 FFAR1 (0.52) LMNATSHRFFAR1FFAR4FAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343974-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS Georgetown University (US) 2011-07-20 EP disclosed
WO-2010027641-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-03-11 WO disclosed
WO-2010019963-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-02-18 WO disclosed