SCHEMBL7469855

SCHEMBL7469855

CCOC(=O)c1ccccc1Cc1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRB2 P47870 1/20 0.46
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7477511 0.87 ALOX5 (0.48) TSHRALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL28750014 0.87 TSHR (0.50) PDE3BPDE3ATSHRALDH1A1KDM4E
SCHEMBL7481382 0.86 ALDH1A1 (0.46) PDE3BPDE3ATSHRALDH1A1KDM4E
SCHEMBL7474003 0.85 HRH3 (0.60) GABRA1GABRB1GABRA3GABRB2PDE3B
SCHEMBL7477279 0.84 PDGFRB (0.49) TSHRALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7478060 0.84 CYP11B1 (0.43) TSHRALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7481943 0.83 SMN1; SMN2 (0.46) TSHRALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7482853 0.82 HRH3 (0.50) PDE3BPDE3ATSHRALDH1A1KDM4E
SCHEMBL7471932 0.78 HSD17B10 (0.39) PDE3BPDE3ATSHRALDH1A1KDM4E
SCHEMBL2311400 0.77 GABRA1 (0.56) GABRA1GABRB1GABRA3GABRB2PDE3B

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