SCHEMBL7582497

SCHEMBL7582497

CCc1cccc(CC)c1NC(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CLCN2 P51788 1/20 0.46
MCL1 Q07820 2/20 0.42
PTGS2 P35354 1/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
UBE2N P61088 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.40

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
SCHEMBL2488558 0.83 ALDH1A1 (0.49) HTTALDH1A1CLCN2LMNAMAPT
SCHEMBL13240829 0.83 ALDH1A1 (0.49) HTTALDH1A1CLCN2LMNAMAPT
Hydrochloric Acid SCHEMBL2481840 0.82 ALDH1A1 (0.48) HTTALDH1A1CLCN2LMNAMAPT
SCHEMBL2485161 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2APTGS2CYP2C19
Ammonia Solution, Strong SCHEMBL17997772 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2APTGS2CYP2C19
SCHEMBL11130746 0.77 HTT (0.60) HTTALDH1A1MEN1KMT2ACLCN2
SCHEMBL7574039 0.77 FPR2 (0.47) ALDH1A1LMNACYP2D6NAALAD2RPS6KB1
SCHEMBL360635 0.76 CXCL8 (0.45) ALDH1A1MEN1KMT2APTGS2TSHR
SCHEMBL7576115 0.76 KMT2A (0.46) ALDH1A1KMT2ALMNACYP2D6NAALAD2
SCHEMBL7583894 0.75 CRHBP (0.56) HTTALDH1A1MEN1KMT2ATDP1

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-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed