SCHEMBL9754784

SCHEMBL9754784

CC1(CC=CC(=O)O)CCC(C)(CC=CC(=O)O)N1[O]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
GABRR2 P28476 2/20 0.35
BLM P54132 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RXRA P19793 3/20 0.32
RXRG P48443 3/20 0.32
CYP1A2 P05177 1/20 0.31
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31

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
SCHEMBL9715874 0.85 GABRR1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL2503574 0.75 TSHR (0.41) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL14798045 0.75 TSHR (0.41) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL8765452 0.68 TSHR (0.38) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL8765456 0.68 TSHR (0.38) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL3049967 0.64 TSHR (0.43) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL9754775 0.64 LMNA (0.40) LMNATSHRTDP1CYP1A2
SCHEMBL3049969 0.64 TSHR (0.43) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL1809605 0.60 TSHR (0.61) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL31609 0.59

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-1991013351-A1 METHOD FOR ENHANCING NUCLEAR MAGNETIC RESONANCE IMAGING USING A NITROXIDE M.R.I., INC. (US) 1991-09-05 WO disclosed