SCHEMBL5613784

SCHEMBL5613784

C=CCCCCCCCCCC(CCCCCCCCCC=C)(CCOCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ABCC4 O15439 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
ACLY P53396 1/20 0.37
TSHR P16473 1/20 0.36
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
PLA2G2C Q5R387 1/20 0.32
HPGD P15428 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL5613707 1.00 MAPT (0.40) MAPTABCC4ALDH1A1LMNAACLY
SCHEMBL5613708 0.95 ALDH1A1 (0.37) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL11123379 0.80 TSHR (0.43) MAPTABCC4ALDH1A1LMNAACLY
SCHEMBL22367768 0.80 MAPT (0.47) MAPTABCC4ALDH1A1LMNAACLY
SCHEMBL28538611 0.80 ALDH1A1 (0.43) ALDH1A1TSHRHPGDCYP4F2CYP4A11
SCHEMBL1302955 0.80 ALDH1A1 (0.43) MAPTALDH1A1LMNATSHR
SCHEMBL22367677 0.79 MAPT (0.44) MAPTABCC4ALDH1A1LMNAACLY
SCHEMBL17065859 0.76 TSHR (0.53) MAPTABCC4ALDH1A1LMNAACLY
SCHEMBL1302165 0.76 AKR1B1 (0.38) ALDH1A1TSHR
SCHEMBL22367638 0.75 ABCC4 (0.42) MAPTABCC4ALDH1A1LMNAACLY

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
WO-2007127690-A1 HIGHLY ORGANIZED POLYOLEFIN STRUCTURES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-11-08 WO disclosed