SCHEMBL9060792

SCHEMBL9060792

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ LIPE Q05469 1/20 0.38
▸ ELOVL6 Q9H5J4 1/20 0.38

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
SCHEMBL9060794 1.00 EPHX2 (0.43) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9060788 1.00 EPHX2 (0.43) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL7525050 0.96 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL8094823 0.96 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL7525054 0.96 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9061735 0.96 HTT (0.45) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9061739 0.96 HTT (0.45) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9061291 0.95 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9061300 0.95 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9062009 0.95 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; 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-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 — — US disclosed
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 — — US disclosed
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