SCHEMBL3449173

SCHEMBL3449173

O=C(O)CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MVD P53602 4/20 0.51
BTN3A1 O00481 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.39
GGPS1 O95749 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR3 Q9UBY5 2/20 0.37
P2RY2 P41231 1/20 0.36
P2RY4 P51582 1/20 0.36
P2RY6 Q15077 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
SCHEMBL11952592 0.96 MVD (0.54) MVDBTN3A1ALDH1A1LMNAGGPS1
SCHEMBL11952589 0.82 ALDH1A1 (0.50) MVDBTN3A1ALDH1A1LMNATSHR
SCHEMBL21121925 0.81 ALDH1A1 (0.56) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL11952573 0.80 BTN3A1 (0.58) MVDBTN3A1GGPS1LPAR1LPAR3
SCHEMBL10545856 0.79 ALDH1A1 (0.54) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL4517942 0.79 ALDH1A1 (0.59) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL4529208 0.79 ALDH1A1 (0.59) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL4516204 0.79 ALDH1A1 (0.59) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL4525157 0.79 ALDH1A1 (0.59) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL4517953 0.79 ALDH1A1 (0.59) ALDH1A1LMNATSHRNFKB1PMP22

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-20100216122-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: METHODS FOR DIRECT DETECTION OF TAGGED MONOMERS Life Technologies Corporation (US) 2010-08-26 US disclosed