SCHEMBL11530261

SCHEMBL11530261

O=CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C=O)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TDP1 Q9NUW8 2/20 0.64
MAPK1 P28482 1/20 0.64
ATM Q13315 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NTSR1 P30989 1/20 0.42
MAPT P10636 3/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
HSD17B1 P14061 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41

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
Xenygloxal SCHEMBL2110325 1.00 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1ATMKMT2A
Xenygloxal SCHEMBL11410527 0.97 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1ATMKMT2A
Xenygloxal SCHEMBL11411015 0.97 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1ATMKMT2A
SCHEMBL27580030 0.93 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1ATMKMT2A
SCHEMBL222221 0.91 ALDH1A1 (0.74) ALDH1A1TDP1MAPK1ATMKMT2A
SCHEMBL7075790 0.91 ALDH1A1 (0.74) ALDH1A1TDP1MAPK1ATMKMT2A
SCHEMBL2864636 0.89 MAPK1 (0.52) ALDH1A1TDP1MAPK1NPSR1LMNA
Water SCHEMBL11592745 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1ATMKMT2A
Water SCHEMBL11592742 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1ATMKMT2A
SCHEMBL29058267 0.87 HDAC1 (0.55) ALDH1A1TDP1MAPK1HTTSMN1; SMN2

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