SCHEMBL11099259

SCHEMBL11099259

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.50
SCN2A Q99250 2/20 0.50
SCN3A Q9NY46 2/20 0.50
CYP19A1 P11511 1/20 0.46
KMT2A Q03164 3/20 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
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTGS1 P23219 1/20 0.40
GCGR P47871 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
SCHEMBL6695556 0.91 CYP19A1 (0.46) SCN1ASCN2ASCN3ACYP19A1KMT2A
SCHEMBL6695553 0.91 CYP19A1 (0.46) SCN1ASCN2ASCN3ACYP19A1KMT2A
SCHEMBL5836880 0.91 CYP19A1 (0.46) SCN1ASCN2ASCN3ACYP19A1KMT2A
SCHEMBL8071324 0.89 CYP19A1 (0.54) SCN1ASCN2ASCN3ACYP19A1KMT2A
SCHEMBL11104527 0.89 SCN1A (0.48) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL9842399 0.87 OXTR (0.42) SCN1ASCN2ASCN3ACYP19A1KMT2A
SCHEMBL11100739 0.87 SCN1A (0.51) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL11100553 0.87 HTT (0.46) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL11106208 0.86 SCN1A (0.50) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL11102882 0.85 HTT (0.46) 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