SCHEMBL10596859

SCHEMBL10596859

CC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(OC(F)(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ F2 P00734 1/20 0.41
▸ ELANE P08246 2/20 0.40
▸ POLB P06746 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL9340306 0.96 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340310 0.96 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL10594470 0.92 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9061276 0.90 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9061255 0.90 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9061265 0.90 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340312 0.89 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340308 0.89 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340344 0.88 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340347 0.88 HTT (0.45) 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
EP-0313604-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-05-03 — — EP disclosed
WO-1988008441-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-11-03 — — WO disclosed
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