SCHEMBL29030403

SCHEMBL29030403

C=Cc1ccc(C(=O)OCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
ALDH1A1 P00352 4/20 0.42
ESR1 P03372 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL26810445 0.86 SNCA (0.49) SNCATAS1R3TAS1R1ALDH1A1ESR1
SCHEMBL26417020 0.86 SNCA (0.49) SNCATAS1R3TAS1R1ALDH1A1ESR1
SCHEMBL1618016 0.85 SNCA (0.45) SNCATAS1R3TAS1R1ALDH1A1ESR1
SCHEMBL9814383 0.85 SNCA (0.47) SNCATAS1R3TAS1R1ALDH1A1ESR1
SCHEMBL6063284 0.83 ESR1 (0.52) ALDH1A1ESR1MEN1KMT2ACA12
SCHEMBL1052411 0.83 CA1 (0.61) TAS1R3TAS1R1ALDH1A1ESR1MEN1
SCHEMBL8150377 0.83 SNCA (0.46) SNCATAS1R3TAS1R1ALDH1A1ESR1
SCHEMBL3769158 0.83 SNCA (0.67) SNCATAS1R3TAS1R1ALDH1A1ADRB2
SCHEMBL26417026 0.83 TDP1 (0.58) SNCAALDH1A1ESR1CA12CA1
SCHEMBL18905448 0.83 SNCA (0.46) SNCATAS1R3TAS1R1ALDH1A1ESR1

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
CN-116410365-A Polypropylene catalyst and preparation method and application thereof 中国石油天然气股份有限公司 2023-07-11 CN disclosed
CN-116410367-A Catalyst system for ethylene polymerization and preparation method and application thereof 中国石油天然气股份有限公司 2023-07-11 CN disclosed