SCHEMBL21116185

SCHEMBL21116185

C[C@H](CCC(=O)OCCC(F)C(F)(F)S(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.67
▸ VDR P11473 4/20 0.67
▸ HIF1A Q16665 3/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ CA1 P00915 3/20 0.66
▸ CA2 P00918 3/20 0.66
▸ EPHA2 P29317 4/20 0.62
▸ CASP7 P55210 3/20 0.62
▸ TP53 P04637 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ USP2 O75604 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ MDM4 O15151 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HSPD1 P10809 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ PTPN2 P17706 1/20 0.62

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
SCHEMBL25701554 0.93 GPBAR1 (0.64) GPBAR1VDRHIF1ACYP2C9CA1
SCHEMBL21116186 0.90 GPBAR1 (0.67) GPBAR1CA1CA2TDP1CYP3A4
SCHEMBL10247319 0.88 GPBAR1 (0.70) GPBAR1VDRHIF1ACYP2C9CA1
SCHEMBL13411130 0.87 GPBAR1 (0.69) GPBAR1VDRHIF1ACYP2C9CA1
SCHEMBL25470140 0.86 GPBAR1 (0.79) GPBAR1VDRHIF1ACYP2C9CA1
SCHEMBL5434273 0.84 GPBAR1 (0.79) GPBAR1VDRHIF1ACYP2C9CA1
SCHEMBL2676657 0.84 GPBAR1 (0.79) GPBAR1VDRHIF1ACYP2C9CA1
SCHEMBL5434267 0.84 GPBAR1 (0.79) GPBAR1VDRHIF1ACYP2C9CA1
Ethylene Glycol SCHEMBL2678610 0.84 GPBAR1 (0.79) GPBAR1VDRHIF1ACYP2C9CA1
SCHEMBL25701561 0.84 GPBAR1 (0.59) GPBAR1VDRHIF1ACYP2C9CA1

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-11067888-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2021-07-20 — — US disclosed
US-20190196329-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2019-06-27 — — US disclosed
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