SCHEMBL28514223

SCHEMBL28514223

CC(CCCC(C)C(O)(O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.67
▸ GPBAR1 Q8TDU6 3/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ AKR1B10 O60218 2/20 0.67
▸ AKR1B1 P15121 2/20 0.67
▸ EFNA1 P20827 1/20 0.67
▸ PSEN1 P49768 1/20 0.67
▸ PSEN2 P49810 1/20 0.67
▸ APH1B Q8WW43 1/20 0.67
▸ NCSTN Q92542 1/20 0.67
▸ APH1A Q96BI3 1/20 0.67
▸ PSENEN Q9NZ42 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ OSBP P22059 1/20 0.59
▸ OSBP2 Q969R2 1/20 0.59
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL2155405 1.00 EPHA2 (0.67) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL1954584 0.91 EPHA2 (0.66) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL31001156 0.88 EPHA2 (0.52) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL11785013 0.88 OSBP (0.75) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL11524136 0.88 OSBP (0.75) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL11571094 0.88 OSBP (0.75) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL28731645 0.88 OSBP (0.75) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL30526156 0.88 GPBAR1 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL19866272 0.88 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL14676689 0.88 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10

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
CN-112285349-A Early diagnosis method for prostatic cancer 上海长海医院 2021-01-29 — — CN disclosed
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