SCHEMBL7794958

SCHEMBL7794958

Oc1ccc(-c2cnc(-c3ccc(OC4CCCCO4)c(F)c3)nc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.35
LMNA P02545 2/20 0.35
TNK2 Q07912 3/20 0.34
PTPN1 P18031 2/20 0.34
XDH P47989 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32

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
SCHEMBL17754323 0.78 HSD17B1 (0.40) LMNATNK2ESR1ESR2CYP17A1
SCHEMBL13979907 0.76 LMNA (0.37) L3MBTL1LMNAPTPN1KDM4E
SCHEMBL7156421 0.75 PTPN1 (0.41) L3MBTL1PTPN1ESR1CYP4F2CYP4A11
SCHEMBL9314761 0.75 L3MBTL1 (0.43) L3MBTL1
SCHEMBL7794967 0.74 HSD17B14 (0.54) HSD17B14LMNAESR1ESR2CYP17A1
SCHEMBL15100430 0.74 PTPN1 (0.35) L3MBTL1PTPN1CYP4F2CYP4A11DHFR
SCHEMBL15100389 0.74 PTPN1 (0.35) L3MBTL1PTPN1CYP4F2CYP4A11DHFR
SCHEMBL7156430 0.72 HSD11B1 (0.40) L3MBTL1TNK2CYP4F2CYP4A11DHFR
SCHEMBL15100421 0.72 HSD11B1 (0.40) L3MBTL1TNK2CYP4F2CYP4A11DHFR
SCHEMBL15100428 0.72 HSD11B1 (0.40) L3MBTL1TNK2CYP4F2CYP4A11DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 EP disclosed