SCHEMBL1627008

SCHEMBL1627008

C(OCC1CO1)C1CO1.CCc1cc(-c2cc(CC)c(O)c(CC)c2)cc(CC)c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 8/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAOA P21397 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 5/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 3/20 0.35
HIF1A Q16665 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
GLA P06280 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL1627011 0.86 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TDP1MAOACYP3A4
SCHEMBL28389688 0.85 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TDP1MAOACYP3A4
SCHEMBL1235707 0.81 CA1 (0.52) SMN1; SMN2ALDH1A1TDP1CYP3A4CYP1A2
SCHEMBL5605483 0.78 TSHR (0.40) SMN1; SMN2ALDH1A1TDP1CYP1A2TSHR
SCHEMBL2829963 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1CYP3A4CYP1A2
SCHEMBL16828361 0.76 TYR (0.42) SMN1; SMN2TDP1CYP3A4TSHRTP53
SCHEMBL2831306 0.76 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1CYP3A4CYP1A2
SCHEMBL27754020 0.75 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL5023947 0.75 GABRA1 (0.55) ALDH1A1CYP3A4CYP1A2CYP2C9GABRA1
SCHEMBL1314079 0.75 TSHR (0.39) SMN1; SMN2ALDH1A1TDP1CYP3A4CYP1A2

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
US-7927514-B2 Microcapsule-based hardener for epoxy resin, masterbatch-based hardener composition for epoxy resin, one-part epoxy resin composition, and processed good ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-19 US disclosed
US-20090186962-A1 Microcapsule-Based Hardener for Epoxy Resin, Masterbatch-Based Hardener Composition for Epoxy Resin, One-Part Epoxy Resin Composition, and Processed Good ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-07-23 US disclosed
EP-1980580-A1 MICROCAPSULE TYPE HARDENER FOR EPOXY RESIN, MASTERBATCH TYPE HARDENER COMPOSITION FOR EPOXY RESIN, ONE-PACK TYPE EPOXY RESIN COMPOSITION, AND PROCESSED ARTICLE Asahi Kasei Chemicals Corporation (JP) 2008-10-15 EP disclosed