SCHEMBL29577419

SCHEMBL29577419

O=C(O)c1cccc(-c2ccc(-c3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.87
RXRA P19793 3/20 0.68
RXRB P28702 3/20 0.68
LMNA P02545 1/20 0.68
GAA P10253 1/20 0.68
ERN1 O75460 1/20 0.62
HDAC8 Q9BY41 1/20 0.59
DHODH Q02127 2/20 0.58
TRIM24 O15164 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
KEAP1 Q14145 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA6 P23280 1/20 0.58
CA9 Q16790 1/20 0.58
TDP2 O95551 1/20 0.57
RXRG P48443 1/20 0.56

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
SCHEMBL14683877 1.00 KMO (0.87) KMORXRARXRBLMNAGAA
SCHEMBL3220396 0.98 KMO (0.91) KMORXRARXRBLMNAGAA
SCHEMBL437537 0.98 KMO (0.91) KMORXRARXRBLMNAGAA
SCHEMBL29904703 0.96 KMO (0.80) KMORXRARXRBLMNAGAA
SCHEMBL69066 0.96 KMO (0.80) KMORXRARXRBLMNAGAA
SCHEMBL3551496 0.96 KMO (0.80) KMORXRARXRBLMNAGAA
SCHEMBL10768172 0.96 KMO (0.80) KMORXRARXRBLMNAGAA
SCHEMBL31752544 0.95 KMO (0.95) KMORXRARXRBLMNAGAA
SCHEMBL250880 0.95 KMO (0.95) KMORXRARXRBLMNAGAA
SCHEMBL30436085 0.95 KMO (0.95) KMORXRARXRBLMNAGAA

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
CN-109180483-B Method for synthesizing hexamethyl terphenyl dimethyl ester 上海博栋化学科技有限公司 2022-04-19 CN disclosed