SCHEMBL29993108

SCHEMBL29993108

CC(C)(C)Oc1cccc(S)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL2092201 1.00 KIF11 (0.41) KIF11ALDH1A1KDM4EMEN1HPGD
Biphenyl SCHEMBL27553552 0.85 CETP (0.36) KIF11ALDH1A1KDM4EMEN1HPGD
SCHEMBL260934 0.84 KIF11 (0.47) KIF11ALDH1A1KDM4EMEN1HPGD
SCHEMBL159683 0.78 GPR3 (0.42) KIF11ALDH1A1HPGDCETP
SCHEMBL11229284 0.78 KIF11 (0.41) KIF11ALDH1A1KDM4EMEN1HPGD
SCHEMBL2092198 0.77 KIF11 (0.43) KIF11ALDH1A1KDM4EMEN1HPGD
Hydrochloric Acid SCHEMBL27878364 0.77 KIF11 (0.40) KIF11ALDH1A1KDM4EMEN1HPGD
SCHEMBL15344308 0.77 KIF11 (0.33) KIF11ALDH1A1RIPK1
SCHEMBL678558 0.76 ACHE (0.52) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL1802320 0.76 CYP3A4 (0.53) KIF11ALDH1A1ACHECYP3A4CA2

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
WO-2023188856-A1 INK COMPOSITION, LIGHT-BLOCKING MEMBER AND IMAGE DISPLAY DEVICE ナトコ株式会社 2023-10-05 — — WO disclosed
CN-108459469-B Pattern forming method 信越化学工业株式会社 2022-11-11 — — CN disclosed
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