SCHEMBL26060005

SCHEMBL26060005

CCC(C)(C)C(=O)OC(C)(C)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KIF11 P52732 4/20 0.35
NLRP3 Q96P20 1/20 0.35
CTBP2 P56545 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
RIPK1 Q13546 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL26753640 0.86 ACHE (0.43) CYP2C19HIF1ARIPK1
SCHEMBL25467999 0.85 CYP2C19 (0.34) CYP2C19HIF1ACHRM2CHRM4CHRM1
SCHEMBL25147502 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL10064129 0.82 CYP2C19 (0.47) CYP2C19HIF1ACHRM2CHRM4CHRM1
SCHEMBL26793835 0.81 ESR1 (0.46) CYP3A4ESR1ESR2CHRM2CHRM4
SCHEMBL26059368 0.79 CYP3A4 (0.53) CYP3A4HSD17B1HSD17B2KIF11NLRP3
SCHEMBL12959326 0.78 PTPN1 (0.40) CYP3A4KIF11ALDH1A1
SCHEMBL7845063 0.78 CYP3A4 (0.43) CYP3A4HSD17B1HSD17B2KIF11ESR1
SCHEMBL13346779 0.77 RIPK1 (0.37) CYP3A4RIPK1ALDH1A1
SCHEMBL26748888 0.77 RIPK1 (0.38) ESR1ESR2RIPK1ALDH1A1

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-20230367214-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-16 US disclosed
US-20230244142-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-03 US disclosed