SCHEMBL30265877

SCHEMBL30265877

COC1CCCc2c(O)nc(O)nc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL25014922 1.00 CYP11B1 (0.34) CYP11B1CYP11B2CYP1A2CYP2C19
SCHEMBL25014919 0.70 AKR1C3 (0.36) CYP11B1CYP11B2
SCHEMBL18874651 0.64
SCHEMBL19349868 0.61 CHRNA7 (0.34)
SCHEMBL29321071 0.60 PTPN1 (0.38) CYP1A2CYP2C19
SCHEMBL27051080 0.60 PTPN1 (0.37) CYP11B1CYP11B2CYP1A2CYP2C19
SCHEMBL1821069 0.60 ACHE (0.43) CYP1A2
SCHEMBL6457198 0.60 ACHE (0.44) CYP1A2
SCHEMBL2304476 0.60
SCHEMBL15831714 0.58 ACHE (0.43) CYP1A2CYP2C19

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
WO-2023012153-A1 VALOSIN-CONTAINING PROTEIN (VCP/P97) INHIBITORS PHOREMOST LIMITED (GB) 2023-02-09 WO disclosed