SCHEMBL31099142

SCHEMBL31099142

C#CC1(NCc2ccc(OC)cc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.44
TP53 P04637 3/20 0.43
STS P08842 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 4/20 0.40
ADAM17 P78536 3/20 0.40
BACE1 P56817 2/20 0.40
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
MMP2 P08253 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL27229526 0.90 LMNA (0.49) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL27090313 0.85 LMNA (0.53) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL27229519 0.82 MAPT (0.50) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL28525675 0.81 LMNA (0.55) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL27090299 0.80 LMNA (0.54) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL31099102 0.80 LMNA (0.41) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL31207279 0.80 LMNA (0.41) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL31207265 0.79 MEN1 (0.43) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL31099109 0.78 LMNA (0.40) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL31207240 0.78 LMNA (0.40) LMNASMN1; SMN2MAPTALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed