SCHEMBL8905604

SCHEMBL8905604

O=P(O)(OCCCO)OP(=O)(OCCCO)OP(=O)(OCCCO)OP(=O)(OCCCO)OP(=O)(OCCCO)OCCCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ BTN3A1 O00481 2/20 0.35
▸ SAT1 P21673 1/20 0.33
▸ MVD P53602 2/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ LPAR3 Q9UBY5 3/20 0.31
▸ LPAR1 Q92633 2/20 0.31
▸ LPAR2 Q9HBW0 2/20 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
SCHEMBL9117167 0.96 CYP3A4 (0.38) CYP3A4BTN3A1SAT1MVDPPARD
SCHEMBL10816365 0.88 LPAR3 (0.39) CYP3A4BTN3A1SAT1MVDPPARD
SCHEMBL8837386 0.83 BTN3A1 (0.39) CYP3A4BTN3A1MVDPPARD
SCHEMBL141690 0.82 CYP3A4 (0.44) CYP3A4BTN3A1SAT1PPARDLPAR3
SCHEMBL1652763 0.81 BTN3A1 (0.52) BTN3A1MVDLPAR3LPAR1LPAR2
SCHEMBL4393949 0.80 LPAR3 (0.39) CYP3A4BTN3A1PPARDLPAR3LPAR1
SCHEMBL379401 0.78 CYP3A4 (0.55) CYP3A4PPARDLPAR3LPAR1LPAR2
SCHEMBL6062486 0.78 CYP3A4 (0.64) CYP3A4SAT1LPAR3LPAR1LPAR2
SCHEMBL11952605 0.78 SAT1 (0.42) CYP3A4BTN3A1SAT1MVDPPARD
SCHEMBL10815990 0.77 LPAR3 (0.43) BTN3A1MVDPPARDLPAR3LPAR1

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
US-5646261-A PHOSPHORUS DERIVATIZED; ANTISENSE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-08 — — US disclosed
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