SCHEMBL31337030

SCHEMBL31337030

COC(=O)c1cc(-c2ccc(O)cc2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ PDK4 Q16654 1/20 0.50
▸ ERN1 O75460 3/20 0.47
▸ ESR2 Q92731 2/20 0.45
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KAT6A Q92794 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HSD17B1 P14061 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL1179257 0.88 ESR2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL9143243 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL22319386 0.87 NR4A2 (0.55) SLC6A4SLC6A3KAT6AALDH1A1HPGD
SCHEMBL11972220 0.86 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL29188757 0.81 SLC6A4 (0.49) ERN1ESR2SLC6A4SLC6A3ALDH1A1
SCHEMBL1179536 0.78 CYP11B1 (0.56) SLC6A4SLC6A3HSD17B1
SCHEMBL30456866 0.78 CFD (0.50) ALDH1A1HPGDLMNA
SCHEMBL25704194 0.78 CFD (0.50) ALDH1A1HPGDLMNA
SCHEMBL28675075 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL14252247 0.78 SLC6A3 (0.45) CA12CA1CA2CA7CA9

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
CN-119081592-A Pre-lithiation binder, preparation method thereof, lithium ion battery diaphragm and lithium ion battery 合肥国轩高科动力能源有限公司 2024-12-06 — — CN disclosed
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