SCHEMBL7478024

SCHEMBL7478024

O=C(O)c1ccccc1Cn1ccc2cc(-c3ccccc3C(=O)N3CCN(c4ccccc4)CC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SERPINE1 P05121 1/20 0.42
SLC6A7 Q99884 2/20 0.41
PPARG P37231 4/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7478027 0.77 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL7477635 0.75 PPARG (0.52) TSHRSERPINE1PPARG
SCHEMBL7477006 0.74 SERPINE1 (0.51) SERPINE1PPARG
SCHEMBL7524721 0.70 KMT2A (0.57) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL7475482 0.70 POLB (0.44) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL10724385 0.70 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL14233800 0.69 PPARG (0.70) PPARG
SCHEMBL27583578 0.69 SERPINE1 (0.41) SERPINE1PPARGPOLB
SCHEMBL31729754 0.68 FLT1 (0.50) ALDH1A1USP2LMNASERPINE1POLB
SCHEMBL7479293 0.68 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AUSP2TSHR

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