SCHEMBL9800558

SCHEMBL9800558

CC(O)CN(CC(C)O)c1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
AOC3 Q16853 2/20 0.33
LMNA P02545 1/20 0.32
KCNA5 P22460 1/20 0.32
ACR P10323 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3390168 0.85 AOC3 (0.34) AOC3
SCHEMBL1355929 0.75 KDM4E (0.31) KDM4E
SCHEMBL350461 0.74 TSHR (0.38) TSHRRECQLLMNA
SCHEMBL6553728 0.72 ALDH1A1 (0.36) TSHR
SCHEMBL8658131 0.72 HTR2A (0.36) AOC3
SCHEMBL1355931 0.71 MEN1 (0.35) RECQL
SCHEMBL816702 0.71 TP53 (0.34) KCNA5
SCHEMBL10812226 0.70 ALDH1A1 (0.40) TSHRLMNAKDM4E
SCHEMBL338524 0.70 POLB (0.44) TSHRAOC3LMNAKDM4E
SCHEMBL2200866 0.70

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-55052367-A None JP disclosed
EP-0269573-B1 LIQUID PHOTOINITIATING MIXTURE CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0269573-A2 Liquid photoinitiating mixture CIBA-GEIGY AG (CH) 1988-06-01 EP disclosed
JP-S5552367-A SOLVENTLESS POLYURETHANE ADHESIVE COMPOSITION NIPPON ZEON CO LTD 1980-04-16 JP disclosed