SCHEMBL26939728

SCHEMBL26939728

CC(OC(=O)C(C)(C)C(=O)O)OC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
LNPEP Q9UIQ6 3/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL26939734 0.84 CYP19A1 (0.32) CYP19A1LMNACYP1A2CYP2D6SCN1A
SCHEMBL26939735 0.83 CYP19A1 (0.33) CYP19A1CTSSCTSK
SCHEMBL26939723 0.83 CYP19A1 (0.30) CYP19A1
SCHEMBL10098353 0.82 CYP19A1 (0.37) CYP19A1EPHX1
SCHEMBL26939725 0.81 CYP19A1 (0.31) CYP19A1
SCHEMBL26939733 0.80 EPHX1 (0.34) CYP19A1CTSSCTSKEPHX1
SCHEMBL786123 0.79 HMGCR (0.36) CYP19A1LMNACYP1A2CYP2D6SCN1A
SCHEMBL26939721 0.78 EPHX1 (0.32) EPHX1
SCHEMBL16591001 0.77 HMGCR (0.36) CYP19A1EPHX1
SCHEMBL23015550 0.76 CYP19A1 (0.33) CYP19A1EPHX1

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-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed