SCHEMBL3198547

SCHEMBL3198547

CC1CCC(C(C)C)C(OC(=O)C(=O)O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.51
ALDH1A1 P00352 9/20 0.47
HPGD P15428 2/20 0.47
CYP19A1 P11511 2/20 0.46
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPA1 O75762 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6387314 0.88 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL16194851 0.88 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL13932935 0.82 EPHX1 (0.59) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL9715760 0.82 EPHX1 (0.59) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL7927510 0.81 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL21831905 0.81 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL8592416 0.80 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL15305973 0.80 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL4637145 0.80 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL6696282 0.80 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US claimed