SCHEMBL5512258

SCHEMBL5512258

O=C(CBr)OC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD11B1 P28845 2/20 0.36
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP17A1 P05093 1/20 0.34
DPP4 P27487 4/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL949707 0.90 ALDH1A1 (0.39) PKMCYP19A1ALDH1A1HSD11B1DPP8
SCHEMBL28644764 0.83 PKM (0.42) PKMCYP19A1ALDH1A1HSD11B1DPP8
SCHEMBL158662 0.83 PKM (0.42) PKMCYP19A1ALDH1A1HSD11B1DPP8
SCHEMBL4368869 0.83 PKM (0.38) PKMCYP19A1ALDH1A1HSD11B1DPP8
SCHEMBL2603060 0.83 HSD11B1 (0.41) PKMCYP19A1ALDH1A1HSD11B1DPP8
SCHEMBL5988511 0.82 CYP19A1 (0.50) CYP19A1ALDH1A1EPHX2CYP17A1
SCHEMBL25946764 0.81 PKM (0.44) PKMCYP19A1ALDH1A1EPHX2CYP17A1
SCHEMBL12936737 0.81 HSD11B1 (0.40) PKMCYP19A1ALDH1A1HSD11B1DPP8
SCHEMBL18232632 0.80 MAPT (0.35) PKMCYP19A1ALDH1A1HSD11B1DPP8
SCHEMBL10228479 0.80 HSD11B1 (0.36) PKMCYP19A1ALDH1A1HSD11B1EPHX2

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
US-8216766-B2 Polymer, polymer preparation method, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-8216766-B2 Polymer, polymer preparation method, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-7193106-B2 Halogenoacetoxyadamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2007-03-20 US disclosed
US-20050258395-A1 Halogenoacetoxyadamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2005-11-24 US disclosed
EP-1516867-A1 HALOGENOACETOXYADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF IDEMITSU KOSAN CO., LTD. (JP) 2005-03-23 EP disclosed