SCHEMBL27878438

SCHEMBL27878438

CC(C)CCOP(=O)(OCCC(C)C)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 2/20 0.36
FDPS P14324 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.32
MVD P53602 1/20 0.32

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
SCHEMBL1577218 0.98 BTN3A1 (0.35) BTN3A1FDPSBLMTDP1ALDH1A1
SCHEMBL155703 0.87 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL31242960 0.85 LPAR3 (0.44) BTN3A1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL10535209 0.85 LPAR3 (0.44) BTN3A1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL155704 0.83 BTN3A1 (0.53) BTN3A1FNTAFNTBMVD
SCHEMBL155705 0.83 BTN3A1 (0.53) BTN3A1FNTAFNTBMVD
SCHEMBL1270333 0.82 LPAR3 (0.46) ALDH1A1MEN1KMT2ALPAR3LPAR1
SCHEMBL1200178 0.82 CYP3A4 (0.46) TDP1ALDH1A1MEN1KMT2ACA12
SCHEMBL27730050 0.81 LPAR3 (0.44) BTN3A1LPAR3LPAR1LPAR2CYP3A4
Methane SCHEMBL7755990 0.80 LPAR3 (0.45) ALDH1A1MEN1KMT2ALPAR3LPAR1

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
CN-102552047-A Dental adhesive DONGMEI QI 2012-07-11 CN disclosed