SCHEMBL29373434

SCHEMBL29373434

Cc1cc(O)ccc1Cc1ccc(O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 6/20 0.56
ALOX5 P09917 3/20 0.55
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL13788035 1.00 TYR (0.56) TYRALOX5MEN1MAPTKMT2A
SCHEMBL69172 0.91 ESR2 (0.49) TYRALOX5CYP3A4ALOX15TSHR
SCHEMBL14462755 0.89 AMY1A (0.54) TYRALOX5MEN1MAPTKMT2A
SCHEMBL51397 0.87 TYR (0.71) TYRALOX5MEN1MAPTKMT2A
SCHEMBL22500098 0.86 HSPA5 (0.59) ALOX5MAPTESR2
SCHEMBL8837323 0.86 TYR (0.50) TYRALOX5MEN1MAPTKMT2A
SCHEMBL11786047 0.86 ALOX5 (0.65) TYRALOX5MEN1MAPTKMT2A
SCHEMBL28693858 0.84 ESR2 (0.45) TYRALOX5MEN1MAPTKMT2A
SCHEMBL14462753 0.84 CYP2C19 (0.41) TYRALOX5MEN1MAPTKMT2A
SCHEMBL278392 0.82 AMY1A (0.42) TYRALOX5ESR1ESR2

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-107179652-B Positive photosensitive polysiloxane composition and application thereof 奇美实业股份有限公司 2022-02-08 CN disclosed