SCHEMBL28812428

SCHEMBL28812428

C=C(C)c1ccccc1.CCCC[PH](=O)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NAAA Q02083 1/20 0.33
CRHR1 P34998 2/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL29548582 0.85 HPGD (0.38) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL28843804 0.81 ITGB1 (0.38) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL27963240 0.78 KMT2A (0.38) CES2CES1KMT2AMEN1SMN1; SMN2
SCHEMBL7182295 0.78 SMN1; SMN2 (0.45) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL7182701 0.76 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2HPGDRAB9A
SCHEMBL31264352 0.76 F2R (0.37) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7186598 0.75 NPC1 (0.43) CES1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL7178316 0.75 NPC1 (0.43) CES1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL7187167 0.75 NPC1 (0.43) CES1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL7188874 0.75 NPC1 (0.43) CES1KMT2AMEN1SMN1; SMN2HPGD

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-101128223-B Photocurable fixture for orthopedic surgery ALCARE CO LTD 2014-05-07 CN disclosed