SCHEMBL25701579

SCHEMBL25701579

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.62
▸ EPHA2 P29317 3/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ AKR1B10 O60218 2/20 0.62
▸ AKR1B1 P15121 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ EFNA1 P20827 1/20 0.62
▸ PSEN1 P49768 1/20 0.62
▸ PSEN2 P49810 1/20 0.62
▸ APH1B Q8WW43 1/20 0.62
▸ NCSTN Q92542 1/20 0.62
▸ APH1A Q96BI3 1/20 0.62
▸ PSENEN Q9NZ42 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ VDR P11473 4/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CASP7 P55210 3/20 0.50

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
SCHEMBL25701573 0.93 GPBAR1 (0.60) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25703757 0.91 GPBAR1 (0.58) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25701555 0.90 GPBAR1 (0.69) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25701564 0.88 GPBAR1 (0.61) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28124403 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25701576 0.85 GPBAR1 (0.58) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL5449469 0.84 GPBAR1 (0.69) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25703760 0.84 GPBAR1 (0.56) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL5440914 0.84 GPBAR1 (0.68) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL10569878 0.83 GPBAR1 (0.76) GPBAR1EPHA2HSD17B10TDP1AKR1B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230205084-A1 RESIST COMPOSITION AND RESIST PATTERN FORMING METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2023-06-29 — — US disclosed
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