SCHEMBL23399666

SCHEMBL23399666

CC(C)Cn1[nH]c(-c2ccccc2)c(C(C)(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DPP4 P27487 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ DAO P14920 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ PLA2G10 O15496 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
SCHEMBL23400941 0.87 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23398887 0.85 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23399788 0.84 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23403112 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23398528 0.81 ADORA2B (0.40) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL23400258 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23402578 0.79 MEN1 (0.51) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL23403203 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23403217 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23400215 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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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