SCHEMBL23398591

SCHEMBL23398591

Cc1ccccc1-c1[nH]n(CC(C)C)c(=O)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ TP53 P04637 1/20 0.33
▸ PDE5A O76074 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CXCR2 P25025 1/20 0.33

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
SCHEMBL23403112 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23400032 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23399949 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23399268 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23400700 0.83 NPC1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23403691 0.82 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23399788 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23401339 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23403409 0.81 BRD4 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23401401 0.77 RAB9A (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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
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