SCHEMBL16683134

SCHEMBL16683134

CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)O)c(F)c2F)c(C(=O)OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ EPAS1 Q99814 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32

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
SCHEMBL16683026 0.79 PTGS2 (0.37) ALDH1A1EPAS1HSP90AA1MAPTLMNA
SCHEMBL16683132 0.78 L3MBTL1 (0.34) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL16081291 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1HSP90AA1
SCHEMBL16683138 0.76 ABCB11 (0.41) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL9963769 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPC1HSP90AA1
SCHEMBL16683145 0.76 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANPC1HSP90AA1
SCHEMBL16683133 0.75 CA12 (0.42) ALDH1A1MEN1KMT2AHSP90AA1MAPT
SCHEMBL26206436 0.74 S1PR3 (0.30) —
SCHEMBL17515669 0.73 CA12 (0.40) ALDH1A1MEN1KMT2AHSP90AA1MAPT
SCHEMBL10204885 0.72 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANPC1HSP90AA1

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-20150118628-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM, METHOD OF FORMING PATTERN, PROCESS FOR MANUFACTURING SEMICONDUCTOR DEVICE, AND SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2015-04-30 — — US disclosed
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