SCHEMBL9356332

SCHEMBL9356332

O=C(O)O[C@@H]1C[C@H](OC(=O)O)N1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
BLM P54132 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA7 P36544 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
SCHEMBL9356064 1.00 CYP2D6 (0.41) CYP2D6LMNABLMALOX15TSHR
SCHEMBL10347848 0.81 CYP2D6 (0.32) CYP2D6LMNABLMALOX15TSHR
SCHEMBL9352597 0.81 ARG1 (0.37) CYP2D6LMNABLMALOX15TSHR
SCHEMBL4019622 0.81 CYP2D6 (0.32) CYP2D6LMNABLMALOX15TSHR
SCHEMBL10753923 0.77
SCHEMBL5183989 0.75 CHRM2 (0.35)
SCHEMBL11206299 0.75 CHRM2 (0.38)
SCHEMBL6578062 0.75 CHRM2 (0.35)
SCHEMBL10816002 0.75 CHRM2 (0.38)
SCHEMBL10588318 0.75 CHRM2 (0.35)

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
EP-0299513-B1 Azetidine derivatives, compositions and their use FIDIA GEORGETOWN INST (US) 1994-10-05 EP claimed