SCHEMBL24490852

SCHEMBL24490852

CCCCc1ccc(S(C)(C)CCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CA1 P00915 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ESR1 P03372 2/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ TACR2 P21452 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42

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
SCHEMBL24433157 0.78 CA2 (0.38) CA2SMN1; SMN2CA1ALDH1A1CA12
SCHEMBL7216900 0.78 CA2 (0.69) CA2SMN1; SMN2CA1ALDH1A1HSD17B10
SCHEMBL83869 0.78 CA2 (0.65) CA2SMN1; SMN2CA1ALDH1A1HSD17B10
SCHEMBL28503721 0.76 CA2 (0.67) CA2SMN1; SMN2CA1ALDH1A1HSD17B10
SCHEMBL3787383 0.75 CA2 (0.60) CA2SMN1; SMN2CA1ALDH1A1HSD17B10
SCHEMBL10791903 0.75 CA2 (0.71) CA2SMN1; SMN2CA1ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL28990998 0.75 CA2 (0.62) CA2SMN1; SMN2CA1ALDH1A1HSD17B10
SCHEMBL10568421 0.75 ALDH1A1 (0.65) CA2SMN1; SMN2CA1ALDH1A1HSD17B10
SCHEMBL9839955 0.75 CA2 (0.62) CA2SMN1; SMN2CA1ALDH1A1HSD17B10
SCHEMBL27366281 0.73 CA2 (0.69) CA2SMN1; SMN2CA1ALDH1A1HSD17B10

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-4008696-A1 SURFACE TREATMENT AGENT Daikin Industries, Ltd. (JP) 2022-06-08 — — EP disclosed
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