SCHEMBL31374595

SCHEMBL31374595

COC(=O)CC1CCc2ccccc2/C1=N\O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
RAB9A P51151 2/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
HTR2C P28335 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9970962 0.86 MTNR1A (0.39) MTNR1AMTNR1BRAB9A
SCHEMBL31374633 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPTTP53CYP1A2
SCHEMBL6644734 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPTTP53CYP1A2
SCHEMBL1470470 0.77 MTNR1A (0.50) ALDH1A1MTNR1AMTNR1B
SCHEMBL7242889 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTCYP2D6RAB9A
SCHEMBL7242893 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTCYP2D6RAB9A
SCHEMBL7170153 0.73 CYP19A1 (0.52) CYP19A1HPGDL3MBTL1HTR2C
SCHEMBL7170156 0.73 CYP19A1 (0.52) CYP19A1HPGDL3MBTL1HTR2C
SCHEMBL6181741 0.73 HPGD (0.41) ALDH1A1MAPTCYP1A2CYP2C19CYP19A1
SCHEMBL10808552 0.72 SLC6A3 (0.35) SMN1; SMN2TP53HTTRAB9AL3MBTL1

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-2025021140-A1 COMPOUND FOR DEGRADING TARGET PROTEIN 海南先声再明医药股份有限公司 2025-01-30 WO disclosed