SCHEMBL8993904

SCHEMBL8993904

C=CCCCCCCP(=O)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.47
LPAR2 Q9HBW0 1/20 0.47
PPARD Q03181 1/20 0.45
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2955740 1.00 LPAR3 (0.47) LPAR3LPAR2PPARDTSHRALDH1A1
SCHEMBL9701750 1.00 LPAR3 (0.47) LPAR3LPAR2PPARDTSHRALDH1A1
SCHEMBL1219734 0.98 PPARD (0.47) LPAR3LPAR2PPARDTSHRALDH1A1
SCHEMBL2957697 0.92 PPARD (0.48) LPAR3LPAR2PPARDTSHRALDH1A1
SCHEMBL4433689 0.84 LPAR3 (0.51) LPAR3LPAR2TSHRALDH1A1
SCHEMBL212199 0.84 PPARD (0.52) LPAR3LPAR2PPARDTSHRALDH1A1
SCHEMBL11514496 0.83 PPARD (0.61) PPARDTSHRTDP1
SCHEMBL7268183 0.83 PPARD (0.61) PPARDTSHRTDP1
SCHEMBL11323349 0.83 PPARD (0.61) PPARDTSHRTDP1
SCHEMBL17764807 0.82 PPARD (0.47) PPARDTSHR

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-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed
US-5550241-A Adducts of cyclic carbonyl monomers and substituted alkens EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-08-27 US disclosed