SCHEMBL8990091

SCHEMBL8990091

C[C@]1(SCC(=O)O)CCCO1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL8916520 1.00 CYP2D6 (0.30) CYP2D6CYP2C19HIF1A
SCHEMBL8918330 0.73
SCHEMBL8918378 0.70
SCHEMBL11197638 0.69
SCHEMBL11638215 0.68
SCHEMBL11037170 0.67 TSHR (0.38) CYP2C19
SCHEMBL9738158 0.67 ALDH1A1 (0.33)
SCHEMBL13444602 0.66
SCHEMBL11246632 0.63
SCHEMBL13589959 0.63 CYP2C19 (0.41) CYP2D6CYP2C19HIF1A

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-5563250-A Cleavable conjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1996-10-08 US disclosed