SCHEMBL30375368

SCHEMBL30375368

O=C(CO)c1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.69
CES2 O00748 1/20 0.63
CES1 P23141 1/20 0.63
HPGD P15428 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 1/20 0.59
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 1/20 0.54
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
EGFR P00533 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL1448153 1.00 PTPN1 (0.69) PTPN1CES2CES1HPGDSMN1; SMN2
SCHEMBL29489791 0.85 PTPN1 (0.71) PTPN1CES2CES1HPGDSMN1; SMN2
SCHEMBL1974978 0.85 PTPN1 (0.71) PTPN1CES2CES1HPGDSMN1; SMN2
SCHEMBL28345275 0.83 PTPN1 (0.69) PTPN1CES2CES1HPGDSMN1; SMN2
SCHEMBL27903494 0.82 SIRT2 (0.54) PTPN1
SCHEMBL8766718 0.82 PTPN1 (0.67) PTPN1CES2CES1HPGDSMN1; SMN2
SCHEMBL444059 0.82 PTPN1 (0.67) PTPN1CES2CES1HPGDSMN1; SMN2
SCHEMBL220588 0.82 PTPN1 (1.00) PTPN1CES2CES1HPGDSMN1; SMN2
SCHEMBL13715355 0.82 PTPN1 (0.67) PTPN1CES2CES1HPGDSMN1; SMN2
SCHEMBL14765363 0.82 PTPN1 (0.67) PTPN1CES2CES1HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111225875-B Salt recovery solution and method of using salt recovery solution 阿克福特斯技术有限公司 2023-04-11 CN disclosed