SCHEMBL9340308

SCHEMBL9340308

CCCCC[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 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ F2 P00734 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LSS P48449 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ POLB P06746 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
SCHEMBL9340312 1.00 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9336525 0.99 HTT (0.39) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9336521 0.99 HTT (0.39) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340502 0.99 HTT (0.39) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340495 0.99 HTT (0.39) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340587 0.97 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340584 0.97 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340717 0.95 HTT (0.41) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9341059 0.95 HTT (0.41) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9340711 0.95 HTT (0.41) 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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