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SCHEMBL8907186

SCHEMBL8907186

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)COc1cc(CO)c(OCC(C)CCC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.55
▸ GPBAR1 Q8TDU6 2/20 0.55
▸ AKR1B10 O60218 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ EFNA1 P20827 1/20 0.55
▸ PSEN1 P49768 1/20 0.55
▸ PSEN2 P49810 1/20 0.55
▸ APH1B Q8WW43 1/20 0.55
▸ NCSTN Q92542 1/20 0.55
▸ APH1A Q96BI3 1/20 0.55
▸ PSENEN Q9NZ42 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ INPP5D Q92835 1/20 0.46
▸ CDC25A P30304 3/20 0.46

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
SCHEMBL8906614 0.91 EPHA2 (0.53) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL31236162 0.85 EPHA2 (0.51) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL28368537 0.85 EPHA2 (0.50) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL1469961 0.85 EPHA2 (0.50) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL8906583 0.84 EPHA2 (0.48) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL25367841 0.84 EPHA2 (0.53) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL15939992 0.84 EPHA2 (0.53) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL29558557 0.84 GPBAR1 (0.64) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL16593746 0.84 EPHA2 (0.51) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL28367476 0.84 EPHA2 (0.51) EPHA2GPBAR1AKR1B10AKR1B1EFNA1

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-5679757-A Highly organic solvent soluble, water insoluble electroluminescent polyphenylene vinylenes having pendant steroid groups and products and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-21 — — US disclosed