SCHEMBL25819629

SCHEMBL25819629

COc1c(C)cc([SH]2CCCC2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ACHE P22303 1/20 0.32
PKM P14618 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
SCHEMBL25658016 0.98 ALDH1A1 (0.33) ALDH1A1ACHEPKM
SCHEMBL27436497 0.74 THRB (0.38) ALDH1A1
SCHEMBL29039139 0.74 CA1 (0.44) ALDH1A1ACHE
SCHEMBL27893504 0.72 ACHE (0.44) ALDH1A1ACHE
SCHEMBL26156858 0.69 POLB (0.30)
Hydrochloric Acid SCHEMBL2354934 0.69 ALDH1A1 (0.37) ALDH1A1ACHE
SCHEMBL129762 0.66 ACHE (0.57) ALDH1A1ACHE
SCHEMBL10030804 0.66 ACHE (0.43) ALDH1A1ACHE
Hydrochloric Acid SCHEMBL8931696 0.66 ALDH1A1 (0.41) ALDH1A1ACHE
Hydrochloric Acid SCHEMBL28586799 0.66 KDM4E (0.44) ALDH1A1ACHEPKM

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
US-11703756-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2023-07-18 US disclosed