SCHEMBL11922908

SCHEMBL11922908

CCC(C)c1ccc(CC(=O)c2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL10178511 0.82 TP53 (0.44) USP2TP53NPC1RAB9ATSHR
SCHEMBL14998867 0.81 ALDH1A1 (0.57) CASP1TP53NPC1RAB9ATSHR
SCHEMBL11922867 0.79 HPGD (0.47) CASP1NPC1RAB9ATSHRALDH1A1
SCHEMBL10179851 0.78 SCN1A (0.42) USP2TP53TSHRALDH1A1MEN1
SCHEMBL10178641 0.77 PLAU (0.51) TP53NPC1RAB9ATSHRALDH1A1
SCHEMBL12630734 0.74 CA1 (0.49) TP53NPC1RAB9AALDH1A1OPRK1
SCHEMBL10001830 0.73 TSHR (0.49) NPC1RAB9ATSHRALDH1A1KMT2A
SCHEMBL11922907 0.73 ESR1 (0.43) CASP1NPC1TSHRALDH1A1MEN1
SCHEMBL10178522 0.72 SRD5A2 (0.56) TP53NPC1RAB9ATSHRALDH1A1
SCHEMBL10178688 0.72 SRD5A2 (0.56) USP2RAB9ATSHRALDH1A1KMT2A

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-20120202141-A1 CHEMICAL AMPLIFICATION TYPE POSITIVE RESIST COMPOSITION, AND RESIST FILM, RESIST COATED MASK BLANKS AND RESIST PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-08-09 — — US disclosed
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