SCHEMBL2301121

SCHEMBL2301121

C(OCC1CO1)C1CO1.Oc1ccccc1Cc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.55
TDP1 Q9NUW8 1/20 0.44
KEAP1 Q14145 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
MGLL Q99685 2/20 0.40
TSHR P16473 3/20 0.40
HIF1A Q16665 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 2/20 0.39
MPO P05164 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL17667218 0.89 HSPA5 (0.43) HSPA5TDP1ALDH1A1MGLL
SCHEMBL28135919 0.88 TDP1 (0.43) HSPA5TDP1ALDH1A1GLAMGLL
Salicyl Alcohol SCHEMBL27722016 0.88 TDP1 (0.43) HSPA5TDP1ALDH1A1GLAMGLL
Catechol SCHEMBL679936 0.87 TDP1 (0.52) TDP1ALDH1A1GLAMGLLTSHR
SCHEMBL27754020 0.87 ALDH1A1 (0.42) HSPA5TDP1ALDH1A1GLAMGLL
SCHEMBL733081 0.85 TDP1 (0.41) HSPA5TDP1ALDH1A1GLATSHR
SCHEMBL17667220 0.84 HSPA5 (0.39) HSPA5TDP1ALDH1A1MGLL
SCHEMBL28041231 0.84 HTR1A (0.44) HSPA5TDP1ALDH1A1GLATSHR
SCHEMBL9472203 0.83 TSHR (0.44) HSPA5TDP1ALDH1A1GLATSHR
2-Allylphenol SCHEMBL251704 0.83 ALDH1A1 (0.45) HSPA5TDP1ALDH1A1GLAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2166114-A None JP disclosed
CN-105906785-A Flame Retardant For Epoxy Resin Containing Phosphonate And Phosphinate Functionality ICL-IP美国有限公司 2016-08-31 CN disclosed
US-7993569-B2 Method of manufacturing heat-resistant mould articles made of polyethylene terephthalate polyesters FTEX, INCORPORATED (JP) 2011-08-09 US disclosed
US-20060043646-A1 Method of manufacturing heat-resistant mould articles made of polyethylene terephthalate polyesters NAKAMOTO PACKS CO., LTD. 2006-03-02 US disclosed
JP-H02166114-A BISPHENOL F EPOXY RESIN AND COATING COMPOSITION CONTAINING SAME KANSAI PAINT CO LTD 1990-06-26 JP disclosed