SCHEMBL18594451

SCHEMBL18594451

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ TACR2 P21452 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SHBG P04278 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HSPD1 P10809 1/20 0.44

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
SCHEMBL25009105 0.87 LPL (0.43) CA2PLK1ALDH1A1ESR1KDM4E
SCHEMBL24059337 0.84 CA2 (0.44) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL12640842 0.83 CA2 (0.47) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL20956952 0.83 CA2 (0.50) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL547838 0.83 KCNH2 (0.60) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL21322216 0.79 CA2 (0.47) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL18911119 0.79 CA2 (0.52) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL18241903 0.79 CA2 (0.52) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL83869 0.79 CA2 (0.65) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL3921598 0.78 HTR2A (0.52) CA2CA1PLK1ALDH1A1HSD17B10

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
US-20220221798-A1 STORAGE CONTAINER STORING TREATMENT LIQUID FOR MANUFACTURING SEMICONDUCTOR FUJIFILM CORPORATION (JP) 2022-07-14 — — US disclosed
US-20170059992-A1 RESIST PATTERN-FORMING METHOD AND CHEMICALLY AMPLIFIED RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2017-03-02 — — US disclosed
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