SCHEMBL7632703

SCHEMBL7632703

CC(=O)Oc1cccc2c1COC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 3/20 0.42
MAPT P10636 3/20 0.42
ADORA1 P30542 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
TTR P02766 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CHRM2 P08172 1/20 0.42
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL14001892 0.86 KMT2A (0.38) PTGS2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL31162811 0.80 ACHE (0.53) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL78687 0.80 ACHE (0.53) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL12216137 0.79 KCNJ1 (0.34) PTGS2KDM4EMAPTSLC6A4PDE4D
SCHEMBL12216149 0.79 KMT2A (0.38) KDM4EMAPTKMT2ASLC6A4PDE4D
SCHEMBL941425 0.75 ALDH1A1 (0.46) PTGS2KDM4EALDH1A1ADORA3ADORA2A
SCHEMBL16110979 0.75 HTR2A (0.44) KDM4EALDH1A1ADORA3ADORA2AMAPT
SCHEMBL31119631 0.75 HTR2A (0.44) KDM4EALDH1A1ADORA3ADORA2AMAPT
SCHEMBL8285651 0.73 TIPARP (0.40) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL11805157 0.73 MRGPRX4 (0.52) PTGS2KDM4EALDH1A1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911320-B1 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 2002-07-24 EP disclosed
US-6114325-A 1,2-di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2000-09-05 US disclosed
EP-0911320-A2 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 1999-04-28 EP disclosed
US-4952721-A AIR OXIDATION WITH HEAVY METAL CATALYSTS AMOCO CORPORATION (US) 1990-08-28 US disclosed