SCHEMBL9577294

SCHEMBL9577294

Cc1ccc(C2(C(=O)C(=O)O)CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.48
MAPT P10636 2/20 0.47
HTR1E P28566 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
S1PR3 Q99500 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC4 P56524 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 2/20 0.41
P2RX7 Q99572 1/20 0.41
OPRM1 P35372 1/20 0.41
LMNA P02545 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
SCHEMBL1048151 0.85 AKR1C1 (0.68) AKR1C1MAPTHTR1ENPSR1S1PR3
SCHEMBL2860893 0.83 AKR1C1 (0.66) AKR1C1MAPTHTR1ENPSR1S1PR3
SCHEMBL3821416 0.83 AKR1C1 (0.66) AKR1C1MAPTHTR1ENPSR1S1PR3
SCHEMBL6673357 0.82 AKR1C1 (0.70) AKR1C1NPSR1MEN1KMT2AHDAC4
SCHEMBL9577271 0.81 HDAC4 (0.62) AKR1C1HDAC4ALDH1A1HSD11B1
SCHEMBL2443314 0.81 MAPT (0.49) AKR1C1MAPTHTR1ENPSR1S1PR3
SCHEMBL3485961 0.81 AKR1C1 (0.62) AKR1C1MAPTHTR1ENPSR1S1PR3
SCHEMBL6672119 0.81 AKR1C1 (0.68) AKR1C1NPSR1MEN1KMT2AHDAC4
SCHEMBL6202789 0.79 LMNA (0.57) AKR1C1MAPTHTR1ENPSR1S1PR3
SCHEMBL11282279 0.79 MAPT (0.48) AKR1C1MAPTHTR1ENPSR1S1PR3

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-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed