SCHEMBL19846332

SCHEMBL19846332

O=C(OCCS(=O)(=O)O)C12CC3CC(C1)CC(C(=O)Oc1c(I)cc(I)cc1I)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ TSHR P16473 3/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ XBP1 P17861 1/20 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
SCHEMBL20008913 0.82 NPSR1 (0.57) NPSR1ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL25476581 0.80 NPSR1 (0.40) NPSR1ALDH1A1NPC1RAB9AUSP2
SCHEMBL19985161 0.80 KMT2A (0.39) NPSR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21911764 0.79 NPSR1 (0.35) NPSR1ALDH1A1NPC1RAB9AUSP2
SCHEMBL20799735 0.79 — —
SCHEMBL19846281 0.78 — —
SCHEMBL10172880 0.77 ALDH1A1 (0.53) NPSR1ALDH1A1NPC1RAB9AUSP2
SCHEMBL19846362 0.77 CYP17A1 (0.31) NPSR1
SCHEMBL24408976 0.75 GAA (0.30) GAAMAPTXBP1
SCHEMBL98471 0.74 ALDH1A1 (0.47) NPSR1ALDH1A1GAAMAPTLMNA

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-20230273519-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND PATTERN FORMATION METHOD JSR CORPORATION (JP) 2023-08-31 — — US disclosed
US-20180039173-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-08 — — US disclosed
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