SCHEMBL3826019

SCHEMBL3826019

[CH2]C(O)(CCCCC=C)C(O)CCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.35
USP2 O75604 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
PTGS1 P23219 1/20 0.34
PPARG P37231 1/20 0.34
OPRK1 P41145 1/20 0.34
FFAR1 O14842 2/20 0.33
PLA2G2C Q5R387 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FDPS P14324 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CACNA2D1 P54289 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
SCHEMBL4436955 0.85 TSHR (0.47) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL93994 0.82 TSHR (0.44) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL3805526 0.76 TSHR (0.67) TSHRALDH1A1FDPS
SCHEMBL9542809 0.76 TSHR (0.67) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL11698081 0.76 TSHR (0.67) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL15635268 0.76 TSHR (0.67) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL20500832 0.76 TSHR (0.67) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL14919581 0.76 TSHR (0.67) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL9541562 0.76 TSHR (0.67) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL3032108 0.76 TSHR (0.67) TSHRALDH1A1CYP3A4USP2MAPT

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-1626728-A4 OXIDIZED LIPIDS AND USES THEREOF IN THE TREATMENT OF INFLAMMATORY DISEASES AND DISORDERS VASCULAR BIOGENICS LTD (IL) 2009-09-02 EP disclosed
EP-1626728-A2 OXIDIZED LIPIDS AND USES THEREOF IN THE TREATMENT OF INFLAMMATORY DISEASES AND DISORDERS Vascular Biogenics Ltd. (IL) 2006-02-22 EP disclosed
WO-2004106486-A2 OXIDIZED LIPIDS AND USES THEREOF IN THE TREATMENT OF INFLAMMATORY DISEASES AND DISORDERS VASCULAR BIOGENICS LTD. (IL) 2004-12-09 WO disclosed