SCHEMBL9336653

SCHEMBL9336653

CCCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc(OC(F)(F)C(F)F)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ F2 P00734 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ EPHX2 P34913 2/20 0.36
▸ POLB P06746 3/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL9336657 1.00 GAA (0.41) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9336667 1.00 GAA (0.41) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9336922 0.97 HTT (0.39) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9336912 0.97 HTT (0.39) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9336934 0.97 HTT (0.39) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9336527 0.97 MAPT (0.43) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9336517 0.97 MAPT (0.43) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9337193 0.96 GAA (0.38) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9341052 0.96 GAA (0.38) GAAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9341060 0.96 GAA (0.38) GAAMAPTKMT2AHTTSMN1; SMN2

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
Send feedback