SCHEMBL11100739

SCHEMBL11100739

CCO[C@H]1CC[C@H](OC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
PTGS1 P23219 1/20 0.41
SERPINE1 P05121 1/20 0.41
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL11105516 0.90 SCN1A (0.48) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL11105637 0.88 ALDH1A1 (0.46) SCN1ASCN2ASCN3AALDH1A1HTT
SCHEMBL11106208 0.87 SCN1A (0.50) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL11099259 0.87 SCN1A (0.50) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL11097830 0.87 ALDH1A1 (0.46) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL11102855 0.86 LSS (0.47) SCN1ASCN2ASCN3AMAPTALDH1A1
SCHEMBL11104829 0.86 LSS (0.47) SCN1ASCN2ASCN3AMAPTALDH1A1
SCHEMBL11104113 0.86 LSS (0.47) SCN1ASCN2ASCN3AMAPTALDH1A1
SCHEMBL11105549 0.85 SCN1A (0.54) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL11109393 0.85 SCN1A (0.54) SCN1ASCN2ASCN3AKMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473487-A 4-Fluorobiphenyl derivatives, their preparation, and dielectrics and electro-optical display element containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-25 US disclosed