SCHEMBL7576854

SCHEMBL7576854

Cc1ccc(Cl)c(NC(C(=O)O)c2ccccc2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ METTL3 Q86U44 2/20 0.51
▸ TTR P02766 2/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ FABP2 P12104 1/20 0.51
▸ RXRA P19793 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ NR4A1 P22736 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ NR4A2 P43354 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51

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
SCHEMBL7576888 0.84 CLCN2 (0.50) MEN1MAPK1KMT2ACLCN2CXCL8
SCHEMBL7576547 0.82 CLCN2 (0.55) MEN1KMT2AAKR1C3AKR1C2CLCN2
SCHEMBL360635 0.81 CXCL8 (0.45) PTGS2MEN1MAPK1KMT2ATTR
SCHEMBL6809250 0.80 CXCL8 (0.44) PTGS2MEN1MAPK1KMT2ATTR
SCHEMBL11271011 0.80 CXCL8 (0.44) PTGS2MEN1MAPK1KMT2ATTR
SCHEMBL2485161 0.78 MEN1 (0.45) PTGS2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL7574624 0.78 ALDH1A1 (0.42) PTGS2MEN1MAPK1KMT2AMETTL3
Ammonia Solution, Strong SCHEMBL17997772 0.76 MEN1 (0.44) PTGS2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL28355542 0.76 FPR2 (0.42) PTGS2MEN1KMT2ATTRAKR1B10
SCHEMBL7574221 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GAA

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
Send feedback