SCHEMBL11601984

SCHEMBL11601984

CC(Oc1ccc(Oc2ccc(Br)cc2)cc1)(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.54
▸ PPARG P37231 6/20 0.54
▸ MCL1 Q07820 2/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ FNTA P49354 1/20 0.38

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
SCHEMBL11394121 0.95 PPARA (0.58) PPARAPPARGMEN1KMT2ANPSR1
SCHEMBL11600978 0.91 PPARA (0.61) PPARAPPARGMCL1MEN1KMT2A
SCHEMBL11601202 0.85 PPARG (0.54) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL11600781 0.85 PPARA (0.57) PPARAPPARGMEN1KMT2ASMN1; SMN2
SCHEMBL11602402 0.84 PPARG (0.57) PPARAPPARGNPC1RAB9APPARD
SCHEMBL5691818 0.84 PPARG (0.61) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL27638956 0.81 PPARG (0.59) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL11599887 0.81 PPARA (0.68) PPARAPPARGMEN1KMT2ASMN1; SMN2
SCHEMBL11600576 0.80 PPARA (0.62) PPARAPPARGMEN1KMT2ANPSR1
SCHEMBL11602527 0.80 PPARA (0.58) PPARAPPARGMEN1KMT2AL3MBTL1

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-4072754-A ANTICHOLESTEROL MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-02-07 — — US disclosed
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