SCHEMBL6437849

SCHEMBL6437849

CCCCC=CCCCCOB(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.40
LPAR2 Q9HBW0 3/20 0.40
LPAR1 Q92633 2/20 0.40
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
F7 P08709 1/20 0.33
F3 P13726 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
SCHEMBL7619229 0.82 LPAR3 (0.35) LPAR3LPAR2LPAR1ALDH1A1CNR1
SCHEMBL6436772 0.78
SCHEMBL8852659 0.74 LPAR2 (0.30) LPAR3LPAR2LPAR1F7F3
SCHEMBL8852654 0.74 LPAR2 (0.30) LPAR3LPAR2LPAR1F7F3
SCHEMBL17652427 0.74 FAAH (0.38) LPAR3LPAR2LPAR1F7F3
SCHEMBL517587 0.72 CYP1A2 (0.36) CNR1CNR2F7F3
SCHEMBL17821297 0.70
SCHEMBL3005917 0.70 LPAR3 (0.53) LPAR3LPAR2LPAR1ALDH1A1CNR1
SCHEMBL3005910 0.70 LPAR3 (0.53) LPAR3LPAR2LPAR1ALDH1A1CNR1
SCHEMBL8571357 0.68 LPAR3 (0.42) LPAR3LPAR2LPAR1ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230207-B1 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2005-06-22 EP disclosed
US-6696597-B2 CROSS-METATHESIZING A TERMINAL OLEFIN AND INTERNAL OLEFIN IN PRESENCE OF CATALYST, TO FORM METATHESIS PRODUCT AND A SIDE PRODUCT; APPLYING CONDITIONS OF SUFFICIENTLY HIGH TEMPERATURE AND/OR LOW PRESSURE TO EVAPORTE SIDE PRODUCT TILLIECHEM, INC. 2004-02-24 US disclosed