SCHEMBL31550480

SCHEMBL31550480

COc1ccc(=O)n(CCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.51
▸ PARK7 Q99497 1/20 0.49
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DAO P14920 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL18951821 0.84 SIGMAR1 (0.54) SIGMAR1MAPTKDM4EALDH1A1HPGD
SCHEMBL5449024 0.80 SIGMAR1 (0.54) SIGMAR1MAPTKDM4EALDH1A1
SCHEMBL5439934 0.79 SIGMAR1 (0.50) SIGMAR1
SCHEMBL16474466 0.79 ALDH1A1 (0.53) MAPTKDM4EALDH1A1GSK3AGSK3B
SCHEMBL5439611 0.75 GSK3A (0.47) SIGMAR1KDM4EALDH1A1GSK3AGSK3B
SCHEMBL4665263 0.73 BRD4 (0.51) PARK7MAPTKDM4EALDH1A1GSK3A
SCHEMBL5445050 0.73 HRH3 (0.55) SIGMAR1MAPTKDM4EALDH1A1NPC1
SCHEMBL13150788 0.72 SIGMAR1 (0.88) SIGMAR1
SCHEMBL22831428 0.72 KDM4E (0.45) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL16474464 0.71 DRD2 (0.44) SIGMAR1PARK7MAPTALDH1A1GSK3B

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
CN-116134025-B Amide phosphine oxide derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-04 — — CN disclosed
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