SCHEMBL28045346

SCHEMBL28045346

C=C(Cc1ccc(C)cc1)C(=O)OCCO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CTBP2 P56545 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GAA P10253 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
SCHEMBL7696584 0.85 KMT2A (0.50) KMT2AMEN1CTBP2RAB9ASMN1; SMN2
SCHEMBL15322041 0.81 TSHR (0.37) KMT2ATDP1CYP4F2CYP4A11
SCHEMBL3910265 0.80 TDP1 (0.51) KMT2ARAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL10174343 0.80 KMT2A (0.51) KMT2AMEN1CTBP2RAB9AL3MBTL1
P-Xylene SCHEMBL3165219 0.80 CA1 (0.48) KMT2AMEN1SMN1; SMN2L3MBTL1TDP1
SCHEMBL7696664 0.80 HPGD (0.45) KMT2AMEN1CTBP2RAB9ASMN1; SMN2
SCHEMBL7697474 0.75 HPGD (0.45) KMT2AMEN1CTBP2RAB9ASMN1; SMN2
SCHEMBL5803357 0.73 CA2 (0.49) KMT2AMEN1SMN1; SMN2GAA
SCHEMBL9513793 0.73 CTBP2 (0.47) KMT2AMEN1CTBP2RAB9ASMN1; SMN2
SCHEMBL1921797 0.73 CTBP2 (0.56) KMT2AMEN1CTBP2RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105268977-A Rapid manufacturing method of titanium alloy artificial biological joint UNIV BEIJING SCIENCE & TECH 2016-01-27 CN claimed
CN-105268977-A Rapid manufacturing method of titanium alloy artificial biological joint UNIV BEIJING SCIENCE & TECH 2016-01-27 CN disclosed