SCHEMBL26312664

SCHEMBL26312664

CC(C)C(OC(=O)c1ccc(I)cc1[N+](=O)[O-])C(F)(F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CES2 O00748 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL26355751 0.85 NPC1 (0.53) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL23559268 0.84 CA12 (0.33) —
SCHEMBL26312665 0.83 CA12 (0.43) SMN1; SMN2GAAMAPTLMNACYP3A4
SCHEMBL23559444 0.82 HPGD (0.35) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL23559443 0.82 CES2 (0.33) SMN1; SMN2GAAALDH1A1MAPTLMNA
SCHEMBL23559371 0.81 NOTUM (0.33) TDP1
SCHEMBL24361153 0.81 CA12 (0.43) ALDH1A1MAPTAR
SCHEMBL23559367 0.81 PTPN1 (0.33) —
SCHEMBL22451781 0.76 PDCD1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL26312645 0.75 AR (0.36) NPC1RAB9AMAPTLMNACES2

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-20230296981-A1 RESIST MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 — — US disclosed
US-20230296980-A1 RESIST MATERIAL AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 — — US disclosed
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