SCHEMBL11528273

SCHEMBL11528273

O=CC(=O)c1ccccc1-c1cccc(-c2ccccc2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BCAT2 O15382 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ GPR52 Q9Y2T5 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNB4 P30926 3/20 0.39
▸ CHRNA3 P32297 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ FABP3 P05413 1/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ GAA P10253 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
SCHEMBL27634897 0.84 BCAT2 (0.53) HNF4AALDH1A1BCAT2HSP90AA1GPR52
SCHEMBL7864455 0.84 BCAT2 (0.59) HNF4AALDH1A1LMNAMAPTBCAT2
SCHEMBL10951356 0.79 ALDH1A1 (0.47) HNF4AALDH1A1LMNAMAPTMEN1
SCHEMBL11528529 0.77 ATM (0.46) HNF4AALDH1A1LMNAMAPTBCAT2
Water SCHEMBL11415614 0.77 HNF4A (0.47) HNF4AALDH1A1BCAT2HSP90AA1GPR52
Water SCHEMBL11409301 0.77 HNF4A (0.47) HNF4AALDH1A1BCAT2HSP90AA1GPR52
SCHEMBL3627480 0.77 PDCD1 (0.47) HNF4AALDH1A1BCAT2GPR52MEN1
SCHEMBL11530033 0.76 BCAT2 (0.46) HNF4AALDH1A1LMNAMAPTBCAT2
SCHEMBL27860217 0.76 HNF4A (0.50) HNF4AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30332908 0.74 ALDH1A1 (0.44) HNF4AALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147728-A Disubstituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1979-04-03 — — US disclosed
US-4064176-A Di-substituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1977-12-20 — — US disclosed
US-4045414-A New di-substituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1977-08-30 — — US disclosed
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