SCHEMBL8617873

SCHEMBL8617873

CC1CC[C@@H](C(C)C)[C@H](OC(=O)[C@H]2C(=O)CC(=O)C[C@@H]2C)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
ALDH1A1 P00352 8/20 0.46
HPGD P15428 2/20 0.46
CYP19A1 P11511 2/20 0.45
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NFE2L2 Q16236 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
P2RX4 Q99571 1/20 0.37

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
SCHEMBL8617969 1.00 EPHX1 (0.46) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL30413006 1.00 EPHX1 (0.46) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL14153128 0.85 ALDH1A1 (0.34) EPHX1ALDH1A1HPGDTSHRMAPT
SCHEMBL8622835 0.77 ALDH1A1 (0.46) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL19738155 0.77 EPHX1 (0.48) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL19730135 0.77 EPHX1 (0.48) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL293955 0.77 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL23256074 0.76 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL21610579 0.76 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL30078348 0.76 EPHX1 (0.58) 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-5763451-A Dynemicin analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-09 US disclosed