SCHEMBL24445844

SCHEMBL24445844

COC(=O)c1cccc(O)c1OC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ PDK2 Q15119 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CFTR P13569 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA5A P35218 1/20 0.41
▸ PDK4 Q16654 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 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
SCHEMBL24436718 0.83 THRB (0.42) LMNATSHRCA1CA2CA9
SCHEMBL27040982 0.81 ALDH1A1 (0.48) LMNACA1CA2CA9CA12
Methyl 3-Hydroxy-2-Methoxybenzoate SCHEMBL1050662 0.81 LMNA (0.66) LMNATSHRCA1CA2CA9
SCHEMBL31429622 0.80 ALDH1A1 (0.40) LMNATSHRCA1CA2CA9
SCHEMBL16961273 0.80 MEN1 (0.34) LMNATSHRCA1CA2CA9
SCHEMBL19459538 0.79 PDK1 (0.46) LMNATSHRPDK2ALDH1A1HSD17B10
SCHEMBL24436792 0.77 KCNK3 (0.50) LMNATSHRCA1CA2CA9
SCHEMBL4385204 0.77 LMNA (0.59) LMNATSHRCA1CA2CA9
SCHEMBL14911017 0.77 LMNA (0.59) LMNATSHRCA1CA2CA9
SCHEMBL29887291 0.77 LMNA (0.59) LMNATSHRCA1CA2CA9

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
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 — — EP disclosed
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