SCHEMBL8687601

SCHEMBL8687601

C=CC(=O)Oc1ccc(-c2ccc(-c3ccc(C[C@@H](C)CC)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.57
▸ ACACB O00763 1/20 0.41
▸ PPARA Q07869 11/20 0.39
▸ PPARG P37231 10/20 0.39
▸ PPARD Q03181 6/20 0.39
▸ PDE6D O43924 1/20 0.39
▸ MME P08473 2/20 0.37
▸ ACE P12821 2/20 0.37
▸ CPA1 P15085 2/20 0.37
▸ ACE2 Q9BYF1 2/20 0.37

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
SCHEMBL21541957 0.85 ACACB (0.42) THRBACACBPPARAPPARGPPARD
SCHEMBL12567796 0.85 THRB (0.42) THRBACACBPPARAPPARGPPARD
SCHEMBL11665188 0.84 ALDH1A1 (0.42) THRBACACBPPARAPPARGPPARD
SCHEMBL9356465 0.84 PPARG (0.44) PPARAPPARGPPARDMMEACE
SCHEMBL11218143 0.84 PPARG (0.44) PPARAPPARGPPARDMMEACE
SCHEMBL10743703 0.84 HSD17B10 (0.50) ACACBPPARAPPARGPPARD
SCHEMBL10308954 0.83 THRB (0.41) THRBACACBPPARAPPARGPPARD
SCHEMBL10409028 0.82 THRB (0.45) THRBACACBPPARAPPARGPPARD
SCHEMBL10408342 0.82 THRB (0.45) THRBACACBPPARAPPARGPPARD
SCHEMBL10847599 0.82 ACACB (0.42) ACACBPPARAPPARGPPARDMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750051-A COPOLYMERIZABLE MATERIAL FOR POLYMERIC FILM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-12 — — US disclosed
Send feedback