SCHEMBL7681540

SCHEMBL7681540

CC(C)Oc1ccc(CC(NC(=O)N(CCO)CCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.48
KMT2A Q03164 1/20 0.48
MME P08473 8/20 0.47
ACE P12821 7/20 0.47
PPARG P37231 5/20 0.46
PPARA Q07869 3/20 0.46
CPA1 P15085 3/20 0.45
ACE2 Q9BYF1 3/20 0.45
FPR2 P25090 1/20 0.43
CNR2 P34972 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
LMNA P02545 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
SCHEMBL6896980 1.00 LPAR1 (0.48) LPAR1KMT2AMMEACEPPARG
SCHEMBL6897944 0.89 KMT2A (0.61) LPAR1KMT2AMMEACEPPARG
SCHEMBL6895388 0.88 LPAR1 (0.53) LPAR1MMEACECPA1ACE2
SCHEMBL6891317 0.88 LPAR1 (0.53) LPAR1MMEACECPA1ACE2
SCHEMBL27538262 0.88 LPAR1 (0.53) LPAR1MMEACECPA1ACE2
SCHEMBL6895776 0.87 SRC (0.43) KMT2ACNR2
SCHEMBL6898401 0.86 PPARG (0.56) MMEACEPPARGCPA1ACE2
SCHEMBL27559954 0.86 PPARG (0.56) MMEACEPPARGCPA1ACE2
SCHEMBL6895621 0.86 MME (0.57) LPAR1MMEACECPA1ACE2
SCHEMBL6896715 0.85 ACE (0.54) LPAR1MMEACECPA1ACE2

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
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed