SCHEMBL31160481

SCHEMBL31160481

CCC12CC3CC(CC(C3)C1C(C)=O)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.33
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL7523676 0.80 KMT2A (0.32) KMT2ASMN1; SMN2ALDH1A1MEN1EPHX2
SCHEMBL7734535 0.75 EPHX1 (0.35) ALDH1A1EPHX2HSD11B1LMNAEPHX1
SCHEMBL28087061 0.73 THRB (0.38) SMN1; SMN2ALDH1A1EPHX2HSD11B1LMNA
SCHEMBL27540405 0.72 GRIN2D (0.34) KMT2ASMN1; SMN2HSD11B1HSD17B10
Methacrylic Acid SCHEMBL28235913 0.71 HSD11B1 (0.33) KMT2ASMN1; SMN2ALDH1A1EPHX2HSD11B1
SCHEMBL595458 0.70 CD81 (0.32) KMT2ASMN1; SMN2
SCHEMBL1937747 0.70 GRIN2D (0.32)
SCHEMBL453582 0.69 EPHX2 (0.31) KMT2AALDH1A1MEN1EPHX2LMNA
SCHEMBL19862489 0.68 GRIN2D (0.35) SMN1; SMN2LMNAMAPT
SCHEMBL8775209 0.68 GRIN2D (0.31) HSD11B1

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
CN-119019389-B 7-Azaindole compound and synthetic method and application thereof SICHUAN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-119019389-A 7-Azaindole compound and synthetic method and application thereof 四川大学 2024-11-26 CN disclosed