SCHEMBL19416754

SCHEMBL19416754

CN(C)c1ccc(C(O)C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP2A13 Q16696 1/20 0.48
▸ GAA P10253 6/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC2A1 P11166 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
SCHEMBL28182150 0.80 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP2A13GAAATM
SCHEMBL27513748 0.77 CYP2A6 (0.50) ALDH1A1CYP2A6CYP2A13GAAATM
SCHEMBL2356074 0.76 CYP2A6 (0.42) ALDH1A1CYP2A6GAAATMTSHR
SCHEMBL913803 0.75 CYP2A6 (0.48) ALDH1A1CYP2A6CYP2A13GAAATM
SCHEMBL13917807 0.75 ALDH1A1 (0.58) ALDH1A1GAAATMTSHRHSD17B10
SCHEMBL142069 0.75 ALDH1A1 (0.58) ALDH1A1GAAATMTSHRHSD17B10
SCHEMBL30814818 0.73 CYP2A6 (0.47) ALDH1A1CYP2A6CYP2A13GAAATM
SCHEMBL28182149 0.73 ALDH1A1 (0.52) ALDH1A1CYP2A6CYP2A13GAAATM
SCHEMBL29247983 0.73 KMT2A (0.51) ALDH1A1CYP2A6CYP2A13GAAATM
SCHEMBL4886100 0.73 ALDH1A1 (0.55) ALDH1A1GAAATMTSHRHSD17B10

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-111372967-B Heat-curable epoxy resin composition having high storage stability SIKA技术股份公司 2023-11-07 — — CN disclosed
EP-3700958-A1 HEAT-CURING EPOXY RESIN COMPOSITION HAVING HIGH STORAGE STABILITY Sika Technology AG (CH) 2020-09-02 — — EP disclosed
EP-2310016-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-10-04 — — EP disclosed
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