SCHEMBL9768255

SCHEMBL9768255

O=C(CNCC(CO)CO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.52
CYP3A4 P08684 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
PTPN1 P18031 2/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 3/20 0.45
AGTR1 P30556 2/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45

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
SCHEMBL18503706 0.82 HPGD (0.62) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL5932634 0.82 HPGD (0.68) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL18179454 0.81 KMT2A (0.52) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL12961212 0.80 ALDH1A1 (0.37) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL9432569 0.80 HPGD (0.65) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
Bromide SCHEMBL10777716 0.80 HPGD (0.65) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL18306239 0.78 HPGD (0.62) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL11964825 0.77 NPC1 (0.53) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL16221574 0.77 DPP4 (0.45) HPGDKMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL17414793 0.77 HPGD (0.56) HPGDKMT2ASMN1; SMN2MEN1CYP3A4

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed