SCHEMBL30815952

SCHEMBL30815952

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C=C(O)OS(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
EFNA1 P20827 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIN1 Q05586 12/20 0.44
GRIN2B Q13224 12/20 0.44
GRIN2D O15399 3/20 0.44
GRIN2A Q12879 3/20 0.44

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
SCHEMBL29426384 0.87 EPHA2 (0.46) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL16467844 0.83 EPHA2 (0.49) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL29426371 0.82 GPBAR1 (0.51) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL30697444 0.81 GRIN1 (0.45) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL30181248 0.78 CYP19A1 (0.48) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL27766908 0.77 CYP19A1 (0.55) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL27803736 0.77 CYP19A1 (0.55) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL13988200 0.77 CYP19A1 (0.55) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL11639079 0.75 MEN1 (0.53) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL11639081 0.75 MEN1 (0.53) EPHA2AKR1B10AKR1B1EFNA1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240257973-A1 DISEASE SPECTRUM CLASSIFICATION PATIENTSLIKEME LLC (US) 2024-08-01 US disclosed
US-11894139-B1 Disease spectrum classification PATIENTSLIKEME LLC (US) 2024-02-06 US disclosed