SCHEMBL9658024

SCHEMBL9658024

COc1cccc(C(CCO)c2ccccc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CASR P41180 3/20 0.44
AOC3 Q16853 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALPL P05186 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6301269 0.85 MTNR1A (0.63) MTNR1AMTNR1BMEN1KMT2ACASR
SCHEMBL9392741 0.85 MTNR1A (0.58) MTNR1AMTNR1BMEN1KMT2ACASR
SCHEMBL9657323 0.82 CYP19A1 (0.49) MEN1KMT2AGRIN2BLMNAMAPT
SCHEMBL4178423 0.78 MTNR1A (0.44) MTNR1AMTNR1BCASRAOC3L3MBTL1
SCHEMBL17295959 0.76 MTNR1A (0.58) MTNR1AMTNR1BMEN1KMT2ACASR
SCHEMBL28862317 0.75 POLB (0.43) MEN1KMT2AL3MBTL1LMNAHTT
SCHEMBL8661020 0.75 AOC3 (0.54) MTNR1AMTNR1BCASRAOC3L3MBTL1
SCHEMBL6490320 0.74 AOC3 (0.62) MTNR1AMTNR1BAOC3L3MBTL1ROCK2
SCHEMBL11174933 0.74 AOC3 (0.50) MTNR1AMTNR1BCASRAOC3L3MBTL1
SCHEMBL27499005 0.73 TAAR1 (0.56) MTNR1AMTNR1BCASRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502031-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-09 EP disclosed
WO-1991007389-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-05-30 WO disclosed