SCHEMBL29898516

SCHEMBL29898516

Oc1ccc2oc(-c3ccc(O)c(O)c3)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.74
ESR2 Q92731 2/20 0.74
ALOX5 P09917 6/20 0.68
APP P05067 4/20 0.66
POLH Q9Y253 4/20 0.59
TNKS O95271 3/20 0.59
PARP1 P09874 3/20 0.59
TNKS2 Q9H2K2 3/20 0.59
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SHBG P04278 1/20 0.54
CALCRL Q16602 1/20 0.54
CYP3A4 P08684 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
ALOX15 P16050 3/20 0.51
HSD17B10 Q99714 3/20 0.51
IP6K2 Q9UHH9 3/20 0.51
TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL3374131 1.00 ESR1 (0.74) ESR1ESR2ALOX5APPPOLH
SCHEMBL3922677 0.85 ESR1 (1.00) ESR1ESR2APPSHBGCALCRL
SCHEMBL29941531 0.85 ESR1 (1.00) ESR1ESR2APPSHBGCALCRL
SCHEMBL3933585 0.85 ESR2 (0.68) ESR1ESR2ALOX5APPSHBG
SCHEMBL15157319 0.80 ESR1 (0.70) ESR1ESR2ALOX5APPSHBG
SCHEMBL30207689 0.79 ESR1 (0.80) ESR1ESR2APPSHBGCALCRL
SCHEMBL28507078 0.79 ESR1 (0.80) ESR1ESR2APPSHBGCALCRL
SCHEMBL734894 0.79 ESR1 (0.80) ESR1ESR2APPSHBGCYP3A4
SCHEMBL734509 0.79 ESR1 (0.80) ESR1ESR2APPSHBGCYP3A4
SCHEMBL734470 0.79 ESR1 (0.80) ESR1ESR2APPSHBGCYP3A4

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
CN-110267668-B Composition useful for treating immune related diseases 思卡赛尔治疗公司 2024-08-20 CN disclosed
CN-114921348-B New high-yield polysaccharide grifola frondosa strain W151021 and molecular marker thereof 广东省科学院微生物研究所(广东省微生物分析检测中心) 2023-09-01 CN disclosed
CN-114921348-A New strain W151021 of maitake of high yield polysaccharide and molecular marker 广东省科学院微生物研究所(广东省微生物分析检测中心) 2022-08-19 CN disclosed