SCHEMBL31306331

SCHEMBL31306331

COC(=O)C(C=O)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HTT P42858 1/20 0.56
CYP2C19 P33261 1/20 0.56
GRIN2B Q13224 9/20 0.51
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 3/20 0.47
ENPP2 Q13822 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
PDE4B Q07343 1/20 0.46

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
SCHEMBL2861277 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL25399112 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL7132652 0.82 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL14514898 0.81 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2865352 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL387622 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15140950 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL3933949 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL18475405 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL11990212 0.79 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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-2025007074-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2025-01-02 WO disclosed