SCHEMBL7478282

SCHEMBL7478282

CCOC(=O)c1ccccc1Cn1ccc2cc(C#N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA2A P29274 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
PRMT5 O14744 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL7477507 0.84 CA12 (0.46) TSHRMAPTFLT1KDRSMN1; SMN2
SCHEMBL7481379 0.84 ALDH1A1 (0.46) TSHRMAPTADORA2AFLT1KDR
SCHEMBL27583585 0.84 LMNA (0.47) TSHRMAPTFLT1KDRELANE
SCHEMBL7473999 0.83 PPARG (0.49) TSHR
SCHEMBL7474367 0.82 MAOA (0.43) TSHRMAPTFLT1KDRKDM4E
SCHEMBL7474077 0.80 SERPINE1 (0.51) MAPTELANESMN1; SMN2
SCHEMBL7477074 0.79 FLT1 (0.41) TSHRMAPTFLT1KDRKDM4E
SCHEMBL7482851 0.79 PPARG (0.51)
SCHEMBL7477071 0.79 THRA (0.52) TDP1KDM4EMEN1KMT2A
SCHEMBL7471302 0.78 TSHR (0.43) TSHRTDP1FLT1KDRSMN1; SMN2

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
EP-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed