SCHEMBL3830729

SCHEMBL3830729

CCCCCCCCCCCCCCCCC(O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ S1PR1 P21453 1/20 0.57
▸ LMNA P02545 2/20 0.55
▸ AKT1 P31749 2/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ CDC25A P30304 1/20 0.55
▸ AGTR1 P30556 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ PRKCG P05129 1/20 0.54
▸ PRKCB P05771 1/20 0.54
▸ PRKCA P17252 1/20 0.54
▸ PRKCH P24723 1/20 0.54
▸ PRKCI P41743 1/20 0.54
▸ PRKCE Q02156 1/20 0.54
▸ PRKCQ Q04759 1/20 0.54

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
SCHEMBL1962739 0.88 SMN1; SMN2 (0.58) MEN1KMT2AS1PR1LMNAAKT1
SCHEMBL2145736 0.87 RECQL (0.63) MEN1KMT2ALMNAAKT1ESR1
SCHEMBL1963543 0.87 RECQL (0.63) MEN1KMT2ALMNAAKT1ESR1
SCHEMBL1962658 0.84 LMNA (0.51) MEN1KMT2AS1PR1LMNAAKT1
SCHEMBL3827928 0.84 LMNA (0.51) MEN1KMT2AS1PR1LMNAAKT1
SCHEMBL2314609 0.83 RECQL (0.59) MEN1KMT2ALMNAAKT1ESR1
SCHEMBL2837952 0.82 RECQL (0.57) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL94022 0.82 ALDH1A1 (0.73) MEN1KMT2AS1PR1LMNAAKT1
SCHEMBL93475 0.82 ALDH1A1 (0.73) MEN1KMT2AS1PR1LMNAAKT1
Water SCHEMBL93771 0.81 ALDH1A1 (0.71) MEN1KMT2AS1PR1LMNAAKT1

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
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