SCHEMBL29440503

SCHEMBL29440503

O=C(O)CCC(c1ccccc1O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CPA3 P15088 1/20 0.46
AKR1B1 P15121 1/20 0.45
HPGD P15428 3/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
KEAP1 Q14145 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 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
SCHEMBL223315 1.00 TSHR (0.47) TSHRALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL16797611 0.85 TSHR (0.44) TSHRALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL27457608 0.83 TSHR (0.58) TSHRALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL3963673 0.83 GABRA1 (0.54) TSHRALDH1A1AKR1B1HPGDGABRA1
SCHEMBL20979465 0.80 TSHR (0.41) TSHRALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL28963600 0.79 HPGD (0.50) TSHRALDH1A1CYP1A2CYP2C19CPA3
SCHEMBL30292907 0.79 POLB (0.41) TSHRALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL4316171 0.79 TSHR (0.50) TSHRALDH1A1AKR1B1HPGDGABRA1
SCHEMBL9838259 0.79 TSHR (0.50) TSHRALDH1A1AKR1B1HPGDGABRA1
SCHEMBL31084151 0.78 CNR2 (0.46) TSHRALDH1A1CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777396-A Heat-sealable aqueous resin composition and laminate 荒川化学工业株式会社 2024-03-29 CN disclosed
CN-115725231-A Water-based composition for barrier and laminate 荒川化学工业株式会社 2023-03-03 CN disclosed
CN-115450067-A Water-based oil proofing agent and oil-resistant paper 荒川化学工业株式会社 2022-12-09 CN disclosed
CN-109661420-B Polyamide film and method for producing same 尤尼吉可股份有限公司 2022-02-25 CN disclosed