SCHEMBL11189652

SCHEMBL11189652

Cc1c2c(-c3ccccc3)c(-c3ccccc3)c(c1C(=O)O)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
TSHR P16473 1/20 0.39
DHODH Q02127 1/20 0.37
FABP3 P05413 3/20 0.37
FABP4 P15090 3/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
TP53 P04637 1/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL7050554 0.79 LMNA (0.44) PDE10ATSHRDHODHLMNAHPGD
SCHEMBL7050556 0.75 LMNA (0.44) PDE10ATSHRDHODHFABP3FABP4
SCHEMBL4882804 0.73 PREP (0.50) PDE10ATSHRFABP3FABP4PRNP
SCHEMBL18988628 0.71 PDE10A (0.47) PDE10ATSHRDHODHFABP3FABP4
SCHEMBL27816594 0.71 PDE10A (0.47) PDE10ATSHRDHODHFABP3FABP4
SCHEMBL29042678 0.70 PDE10A (0.46) PDE10ATSHRDHODHFABP3FABP4
SCHEMBL10832124 0.70 PDE10A (0.50) PDE10ATSHRDHODHFABP3FABP4
SCHEMBL27663766 0.68 PDE10A (0.49) PDE10ATSHRDHODHFABP3FABP4
SCHEMBL3446771 0.68 LMNA (0.52) PDE10ATSHRDHODHFABP3FABP4
SCHEMBL2846662 0.68 LMNA (0.52) PDE10ATSHRDHODHFABP3FABP4

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-4401676-A Novel α-amino acids MERCK & CO., INC. (US) 1983-08-30 US disclosed