SCHEMBL7474579

SCHEMBL7474579

O=C(O)c1ccccc1Cc1c[c]c(C(=O)N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
USP2 O75604 3/20 0.51
LMNA P02545 5/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 5/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SLC6A7 Q99884 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
ATM Q13315 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
SCHEMBL10724385 0.70 ALDH1A1 (1.00) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL7479293 0.69 ALDH1A1 (0.60) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL9565911 0.65 ALDH1A1 (0.81) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL23269308 0.65 HTT (0.74) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL23003 0.65 TSHR (0.79) ALDH1A1TSHRKMT2A
SCHEMBL8595777 0.64 POLB (0.87) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL10721777 0.64 MEN1 (0.87) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL15347660 0.64 ALDH1A1 (1.00) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL27629593 0.64 KMT2A (0.71) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL28370887 0.64 TSHR (0.76) ALDH1A1TSHRKMT2A

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