SCHEMBL9797698

SCHEMBL9797698

O=C(COCc1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.46
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.40
MGLL Q99685 1/20 0.40
FAAH O00519 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 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
SCHEMBL25244773 0.88 ALDH1A1 (0.45) MAPK1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL17256401 0.83 TEAD3 (0.43) MAPK1KMT2AHPGDALDH1A1PKM
SCHEMBL2450503 0.82 KMT2A (0.57) MAPK1KMT2AHPGDTSHRALDH1A1
SCHEMBL17256395 0.81 EPHX2 (0.48) ALDH1A1FAAHL3MBTL1
SCHEMBL23191944 0.81 ALDH1A1 (0.50) MAPK1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL15450611 0.81 NOTUM (0.52) MAPK1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL2568708 0.80 ADORA3 (0.37) MGLL
SCHEMBL4399193 0.80 PARL (0.38) MAPK1KMT2AHPGDALDH1A1PKM
SCHEMBL406279 0.78 KMT2A (0.41) GRM5MAPK1KMT2ATSHRALDH1A1
SCHEMBL16620495 0.78 ALDH1A1 (0.47) MAPK1KMT2AALDH1A1MGLLFAAH

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
EP-0222172-B1 N-GLYCOLYLNEURAMINIC ACID DERIVATIVE MECT CORPORATION (JP) 1991-02-06 EP disclosed
US-4774327-A N-glycolylneuraminic acid derivative MECT CORPORATION (JP) 1988-09-27 US disclosed
EP-0222172-A2 N-Glycolylneuraminic acid derivative MECT CORPORATION (JP) 1987-05-20 EP disclosed