SCHEMBL11700214

SCHEMBL11700214

O=CC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ BACE1 P56817 1/20 0.36
▸ HNF4A P41235 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ PRNP P04156 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NR2E3 Q9Y5X4 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL11528277 0.78 PTGER1 (0.43) ALDH1A1MAPK1TDP1HNF4AHDAC4
SCHEMBL11329126 0.74 MEN1 (0.44) ALDH1A1MAPK1TDP1HNF4AMAPT
SCHEMBL11318153 0.74 MEN1 (0.44) ALDH1A1MAPK1TDP1HNF4AMAPT
SCHEMBL1225414 0.72 BACE1 (0.50) ALDH1A1MAPK1BACE1MAPTHDAC4
SCHEMBL50362 0.71 HNF4A (0.50) ALDH1A1HNF4AFABP3FABP4PRNP
SCHEMBL28080968 0.71 ALDH1A1 (0.41) ALDH1A1MAPK1TDP1HNF4AMAPT
Phosphoric Acid SCHEMBL28331652 0.70 BACE1 (0.44) ALDH1A1BACE1HNF4AMAPTGAA
SCHEMBL11596187 0.69 EGFR (0.55) HDAC4HDAC2HDAC8HDAC6RAB9A
Water SCHEMBL11409301 0.69 HNF4A (0.47) ALDH1A1MAPK1TDP1HNF4AGAA
Water SCHEMBL11415614 0.69 HNF4A (0.47) ALDH1A1MAPK1TDP1HNF4AGAA

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-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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