SCHEMBL19983917

SCHEMBL19983917

CC1C(=O)CC(C)(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 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
SCHEMBL8054703 0.75 CA1 (0.30)
SCHEMBL368265 0.72 MAPT (0.56) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL20320513 0.72 KDM4E (0.34) KDM4EALDH1A1GLAGAA
SCHEMBL20324913 0.72 ALDH1A1 (0.32) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL774113 0.65 CRBN (0.32)
SCHEMBL1720186 0.65 CRBN (0.32)
SCHEMBL4009745 0.65
SCHEMBL13302896 0.64 GAA (0.33) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL4428965 0.62
SCHEMBL20320368 0.62 ENO1 (0.32) MAPT

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-113507932-A Use of 3-O-sulfamic acid-16, 16-dimethyl-D-homonaphthalenestrone for the treatment of tumor diseases 纳塔利娅·爱德华多夫娜·伊利娅索娃 2021-10-15 CN disclosed
EP-3878454-A1 USE OF 3-O-SULFAMATE-16,16-DIMETHYL-D-HOMOEQUILENIN TO TREAT ONCOLOGICAL DISEASES Iliyasova, Natalia Eduardovna (RU) 2021-09-15 EP disclosed
WO-2018053322-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-03-22 WO disclosed