SCHEMBL9336788

SCHEMBL9336788

CCC1CCC(C(=O)Oc2ccc(OC(F)(F)C(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ F2 P00734 1/20 0.43
▸ ELANE P08246 2/20 0.42
▸ POLB P06746 3/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ ATM Q13315 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ EPHX2 P34913 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL9336759 1.00 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340969 0.96 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340961 0.96 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340965 0.96 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9336972 0.91 HTT (0.44) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9336955 0.91 HTT (0.44) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9336517 0.89 MAPT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9336527 0.89 MAPT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9061608 0.88 HTT (0.49) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9061601 0.88 HTT (0.49) HTTKMT2ASMN1; SMN2TDP1F2

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-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 — — US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 — — US disclosed
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