SCHEMBL8639364

SCHEMBL8639364

CCCC(N)(C(=O)OC)C(C)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
LTA4H P09960 6/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ELANE P08246 1/20 0.37
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8644119 0.89 PPARG (0.47) PPARGPPARALTA4HACACBACACA
SCHEMBL8637374 0.86 LTA4H (0.43) LTA4HL3MBTL1ELANEALDH1A1
SCHEMBL8638408 0.85 LTA4H (0.44) LTA4HL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL8640502 0.77 LTA4H (0.43) PPARGPPARALTA4HELANEALDH1A1
SCHEMBL8637712 0.74 PPARG (0.40) PPARGPPARALTA4HLMNAL3MBTL1
SCHEMBL8907598 0.73 CYP1A2 (0.47) PPARGPPARAACACBACACA
SCHEMBL9208923 0.71 SMN1; SMN2 (0.46) ALDH1A1
SCHEMBL9208919 0.71 SMN1; SMN2 (0.46) ALDH1A1
SCHEMBL17710689 0.71 LMNA (0.56) PPARGPPARALTA4HACACBACACA
SCHEMBL8639342 0.70 ELANE (0.43) PPARGPPARALTA4HLMNACA12

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed