SCHEMBL9522728

SCHEMBL9522728

N#CCC(CC(=O)O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSS P25774 8/20 0.42
CTSL P07711 7/20 0.42
CTSB P07858 4/20 0.42
CTSK P43235 2/20 0.42
CPA1 P15085 2/20 0.40
LTA4H P09960 2/20 0.40
FFAR1 O14842 1/20 0.40
TACR1 P25103 1/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 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
SCHEMBL10382406 0.85 KMT2A (0.51) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27910532 0.84 MME (0.48) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27910534 0.84 MME (0.48) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4007778 0.79 MAOB (0.39) MAOBSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7050412 0.79 CTSL (0.39) MAOBSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL12136516 0.79 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4007775 0.79 MAOB (0.39) MAOBSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL28790050 0.79 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL13335567 0.77 TDP1 (0.47) KMT2AMEN1FFAR1SMN1; SMN2
SCHEMBL12136573 0.76 PSMB5 (0.50) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5025113-A None JP disclosed
JP-H0525113-A NEW 4-CYANOBUTYRIC ACID DERIVATIVE AND ITS PRODUCTION NIKKO KYODO CO LTD 1993-02-02 JP disclosed
JP-H00525113-A 0001-01-01 JP disclosed