SCHEMBL6292813

SCHEMBL6292813

CCOC(=O)c1c(C(=O)O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.50
TDP2 O95551 1/20 0.50
NSD2 O96028 1/20 0.50
PLCG1 P19174 1/20 0.50
PAX8 Q06710 1/20 0.50
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 4/20 0.49
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL10692269 0.87 KMT2A (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3001518 0.84 GSK3B (0.52) TSHRALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL10768688 0.84 TSHR (0.51) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL182493 0.82 MAPT (0.62) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL12502625 0.79 TSHR (0.54) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL23174424 0.77 TSHR (0.62) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL8940579 0.77 TSHR (0.80) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL29123133 0.77 TSHR (0.71) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL7878712 0.76 TSHR (0.58) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL12502788 0.76 TSHR (0.51) TSHRALDH1A1MAPK1MEN1KMT2A

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
US-6884893-B1 Method for selectively dissociating cyclic carboxylic acid anhydrides MERCK PATENT GMBH (DE) 2005-04-26 US disclosed
US-4739071-A Process for the preparation of enantiomers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-19 US disclosed