SCHEMBL8486209

SCHEMBL8486209

COC(=O)c1cccc(Oc2ccc(CCCO)cc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.52
CYP4F2 P78329 3/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 1/20 0.43
LPAR1 Q92633 5/20 0.43
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CRHR2 Q13324 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
LMNA P02545 2/20 0.39
TSPO P30536 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8486273 0.87 LPAR1 (0.49) PTGS2LPAR1PPARAALDH1A1POLB
SCHEMBL26636357 0.78 LTA4H (0.43) CYP4A11CYP4F2LPAR1PPARAPOLB
SCHEMBL8534419 0.78 MAPT (0.50) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL30657231 0.78 LTA4H (0.43) CYP4A11CYP4F2LPAR1PPARAPOLB
SCHEMBL20503331 0.77 LPAR1 (0.52) MEN1KMT2ALPAR1PPARAALDH1A1
SCHEMBL5128424 0.76 MAPT (0.53) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL8625472 0.74 LPAR1 (0.52) CYP4A11LPAR1PPARAALDH1A1LPAR5
SCHEMBL26619309 0.74 CYP4F2 (0.39) CYP4A11CYP4F2MEN1KMT2APPARA
SCHEMBL30670073 0.74 CYP4F2 (0.39) CYP4A11CYP4F2MEN1KMT2APPARA
SCHEMBL8565733 0.73 CYP4A11 (0.54) CYP4A11CYP4F2LPAR1POLBLPAR5

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-5917057-A USEFUL AS ANALGESICS AND TOPICAL ANTIINFLAMMATORY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1999-06-29 US disclosed
US-5840749-A ANALGESICS, INHIBITORS OF CYCLOOXYGENASE AND/OR LIPOXYGENASE, TREATMENT OF DERMATOSES HOECHST MARION ROUSSEL, INC. (US) 1998-11-24 US disclosed