SCHEMBL10480441

SCHEMBL10480441

CCCC(=O)N(O)Cc1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.41
AGXT P21549 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
NPC1 O15118 1/20 0.41
FLT3 P36888 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL2396386 0.80 LOXL2 (0.46) LMNASMN1; SMN2L3MBTL1LOXL2ALDH1A1
SCHEMBL2393157 0.80 LOXL2 (0.53) LOXL2ALDH1A1HPGDESR1ESR2
SCHEMBL7030964 0.70 MAOB (0.50) LMNALOXL2ALDH1A1KDM4EAGXT
SCHEMBL6013090 0.70 LOXL2 (0.60) LMNASMN1; SMN2L3MBTL1LOXL2AGXT
SCHEMBL2327568 0.70 LMNA (0.66) LMNASMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL11101351 0.70 ESR1 (0.54) LMNASMN1; SMN2LOXL2ALDH1A1ESR1
SCHEMBL5947962 0.70 MAOB (0.52) SMN1; SMN2LOXL2ALDH1A1HPGDESR1
SCHEMBL31499129 0.69 LOXL2 (0.64) SMN1; SMN2L3MBTL1LOXL2ESR1ESR2
SCHEMBL515109 0.69 LOXL2 (0.64) SMN1; SMN2L3MBTL1LOXL2ESR1ESR2
SCHEMBL21366386 0.69 ALDH1A1 (0.49) SMN1; SMN2L3MBTL1LOXL2ALDH1A1HPGD

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-4822809-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1989-04-18 US disclosed