SCHEMBL6088643

SCHEMBL6088643

Oc1cccc(COCc2cc(Cl)c3ccccc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
ALDH1A1 P00352 2/20 0.40
OPRK1 P41145 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
GFER P55789 2/20 0.39
RAD52 P43351 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
GBA1 P04062 1/20 0.38
CASR P41180 1/20 0.38
ESRRB O95718 1/20 0.37
ESR1 P03372 1/20 0.37
ESRRA P11474 1/20 0.37
ESR2 Q92731 1/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL6089190 0.78 CYSLTR1 (0.56)
SCHEMBL6089044 0.77 DHODH (0.38) DHODHLMNAMAPT
SCHEMBL29219366 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBRAD52
SCHEMBL29219438 0.72 KCNH2 (0.48) ALDH1A1ESR1ESR2KDM4E
SCHEMBL3564800 0.72 MAOA (0.45) ALDH1A1MEN1KMT2APOLBRAD52
SCHEMBL25523802 0.72 KDM4E (0.50) DHODHALDH1A1MEN1KMT2APOLB
SCHEMBL6089983 0.70 KMT2A (0.48) ALDH1A1MEN1KMT2AACHEKDM4E
SCHEMBL6088545 0.70 DRD2 (0.43) ALDH1A1OPRK1MEN1KMT2APOLB
SCHEMBL3457284 0.70 APP (0.48) MEN1KMT2ACASRKDM4EMAPT
Resorcinol SCHEMBL2944120 0.69 TSHR (0.68) ALDH1A1OPRK1POLBTSHRKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
CN-1183113-C Tri-aryl acid derivatives as PPAR receptor ligands ���ĵ�˹ҩ��¹����޹�˾ 2005-01-05 CN disclosed
CN-1356983-A Tri-aryl acid derivatives as PPAR receptor ligands AVENTIS PHARM PROD INC (DE) 2002-07-03 CN disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed