SCHEMBL23400100

SCHEMBL23400100

CCCc1c(C)[nH]n(CCC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ GAA P10253 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ DCTPP1 Q9H773 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ TYMP P19971 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM5A P29375 1/20 0.31

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
SCHEMBL23398946 0.91 NPC1 (0.38) KDM4EGAAALDH1A1DCTPP1MEN1
SCHEMBL23398883 0.89 KDM4E (0.39) KDM4EGAAALDH1A1DCTPP1MEN1
SCHEMBL23399156 0.86 SMN1; SMN2 (0.36) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL10878921 0.86 KDM4E (0.41) KDM4EGAAALDH1A1DCTPP1MEN1
SCHEMBL23400751 0.83 PDE4A (0.38) KDM4EGAAALDH1A1DCTPP1MEN1
SCHEMBL23402954 0.80 HTT (0.35) ALDH1A1KDM5A
SCHEMBL23401782 0.80 KDM4E (0.38) KDM4EGAAALDH1A1DCTPP1MEN1
SCHEMBL23403025 0.80 KDM4E (0.42) KDM4EGAAALDH1A1DCTPP1SMN1; SMN2
SCHEMBL23403629 0.79 ALDH1A1 (0.33) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23402697 0.78 ALDH1A1 (0.33) KDM4EALDH1A1MEN1KMT2ATYMP

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
Send feedback