SCHEMBL30323716

SCHEMBL30323716

CC(CCCCO)c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
KMT2A Q03164 5/20 0.36
POLB P06746 3/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.33
TRPA1 O75762 1/20 0.33
AGTR1 P30556 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
GLA P06280 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
SCHEMBL1868809 0.83 KMT2A (0.38) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL16753024 0.81 MEN1 (0.40) ALOX5KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL12969165 0.81 KMT2A (0.38) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL10620272 0.79 KMT2A (0.41) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL11363504 0.78
SCHEMBL2088993 0.76 GAA (0.39) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL222564 0.76 KMT2A (0.39) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL2088992 0.75 ALDH1A1 (0.33) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL6576563 0.75 KMT2A (0.44) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL13476151 0.75 ALOX5 (0.41) ALOX5KMT2APOLBPKMPTPN1

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-110003434-B Water-based polyurethane and preparation method thereof 芜湖万隆新材料有限公司 2023-05-09 CN disclosed