SCHEMBL7105447

SCHEMBL7105447

CCCCCCCCOc1cnc(-c2ccc(O)c(F)c2F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.45
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
PLA2G4B P0C869 2/20 0.40
LTA4H P09960 1/20 0.40
RARB P10826 3/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PLA2G2A P14555 1/20 0.38
POLB P06746 1/20 0.38
PTPN11 Q06124 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
SCHEMBL9180878 0.85 NR5A1 (0.48) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL9341726 0.85 NR5A1 (0.40) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL7871736 0.83 CYP3A4 (0.40) NR5A1RARBPTPN11
SCHEMBL9346816 0.83 CNR2 (0.42) NR5A1TP53TSHRPLA2G4BNPC1
SCHEMBL13987899 0.82 RARB (0.49) TP53TSHRRARBNPC1LMNA
SCHEMBL9561817 0.82 RARB (0.49) TP53TSHRRARBNPC1LMNA
SCHEMBL6850737 0.82 RARB (0.49) TP53TSHRRARBNPC1LMNA
SCHEMBL6535017 0.82 RARB (0.49) TP53TSHRRARBNPC1LMNA
SCHEMBL5722784 0.82 NR5A1 (0.39) NR5A1TP53TSHRPLA2G4BNPC1
SCHEMBL4866016 0.81 NR5A1 (0.55) NR5A1TP53TSHRPLA2G4BLTA4H

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-1042302-B1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING & MFG (US) 2003-09-24 EP disclosed
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed
US-5422037-A For electro-optical and display devices DISPLAYTECH, INC. (US) 1995-06-06 US disclosed