SCHEMBL10080490

SCHEMBL10080490

CCCCCCCc1cc2ccc(C(=O)O)cc2c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2C Q14957 1/20 0.52
PLA2G2D Q9UNK4 1/20 0.47
RARB P10826 6/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.44
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44

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
SCHEMBL10080500 1.00 GRIN2D (0.52) GRIN2DGRIN2AGRIN2CPLA2G2DRARB
SCHEMBL10080499 0.99 GRIN2D (0.54) GRIN2DGRIN2AGRIN2CPLA2G2DRARB
SCHEMBL10080478 0.95 GRIN2D (0.55) GRIN2DGRIN2AGRIN2CPLA2G2DRARB
SCHEMBL10080753 0.89 GRIN2D (0.57) GRIN2DGRIN2AGRIN2CPLA2G2DALDH1A1
SCHEMBL10080752 0.84 GRIN2D (0.62) GRIN2DGRIN2AGRIN2CALDH1A1MEN1
SCHEMBL29898231 0.83 GRIN2D (0.56) GRIN2DGRIN2AGRIN2CRARBALDH1A1
SCHEMBL10080467 0.83 GRIN2D (0.56) GRIN2DGRIN2AGRIN2CRARBALDH1A1
SCHEMBL27760654 0.82 MAPT (0.48) RARBALDH1A1MEN1RARAMAPT
SCHEMBL10080492 0.81 GRIN2D (0.57) GRIN2DGRIN2AGRIN2CALDH1A1
SCHEMBL10080754 0.80 GRIN2D (0.64) GRIN2DGRIN2AGRIN2CPLA2G2DALDH1A1

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
WO-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 WO disclosed