SCHEMBL24436718

SCHEMBL24436718

CC(=O)c1cccc(O)c1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ KCNK3 O14649 4/20 0.40
▸ KCNK9 Q9NPC2 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ P2RX1 P51575 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL16961273 0.86 MEN1 (0.34) THRBKCNK3KCNK9MAPTP2RX1
SCHEMBL27040982 0.84 ALDH1A1 (0.48) LMNAMAOAMAOBCA12CA1
SCHEMBL24445844 0.83 LMNA (0.56) KCNK3KCNK9GAAP2RX1LMNA
SCHEMBL31429622 0.83 ALDH1A1 (0.40) KCNK3KCNK9MAPTP2RX1HTT
Benzene SCHEMBL28024387 0.83 ALDH1A1 (0.47) KCNK3KCNK9TSHRPDK2CA12
Benzene SCHEMBL28024364 0.81 ALDH1A1 (0.46) KCNK3KCNK9TSHRPDK2CA12
Benzene SCHEMBL28022412 0.80 IRAK4 (0.39) KCNK3KCNK9MAPTL3MBTL1TSHR
SCHEMBL27675720 0.79 MAPT (0.40) THRBMAPTP2RX1L3MBTL1HTT
SCHEMBL20342786 0.78 CA1 (0.52) THRBMAPTGAAHTTLMNA
SCHEMBL24436866 0.77 MAPK1 (0.49) THRBMAPTGAAL3MBTL1HTT

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
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
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 — — US disclosed
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