SCHEMBL10691603

SCHEMBL10691603

CCCC1CC=C(c2ccc(-c3ccccc3)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
ESR2 Q92731 1/20 0.41
HRH3 Q9Y5N1 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TNK2 Q07912 1/20 0.34
PTGS1 P23219 3/20 0.33
MEN1 O00255 2/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 2/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL24230482 0.89 ESR2 (0.40) MMP2MMP3ESR2HRH3
SCHEMBL24230506 0.88 ESR2 (0.39) MMP2MMP3ESR2HRH3
SCHEMBL8935954 0.86 ESR2 (0.38) MMP2MMP3ESR2AKR1C3AKR1C2
SCHEMBL24230486 0.86 ESR2 (0.36) MMP2MMP3ESR2HRH3ALOX5AP
SCHEMBL8935914 0.85 ESR2 (0.37) MMP2MMP3ESR2HRH3
SCHEMBL9019416 0.84 ESR2 (0.43) ESR2HRH3PTGS2
SCHEMBL8936039 0.84 ESR2 (0.36) MMP2MMP3ESR2
SCHEMBL20744656 0.84 ESR2 (0.47) ESR2DRD3MAPTHPGD
SCHEMBL10931056 0.84 ESR2 (0.47) ESR2DRD3MAPTHPGD
SCHEMBL10932075 0.84 ESR2 (0.46) ESR2DRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132377-B1 COMPOUNDS CONTAINING A FLUOROBIPHENYLYL GROUP AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICE The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1988-06-29 EP disclosed
US-4696549-A Compounds containing a fluorobiphenylyl group and their use in liquid crystal material and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1987-09-29 US disclosed
US-4695131-A FLUORINATED AROMATIC COMPOUNDS; INSTRUMENT PANELS, AUTOMOBILES QINETIQ LIMITED (GB) 1987-09-22 US disclosed
EP-0117631-B1 DISUBSTITUTED ETHANES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1987-04-29 EP disclosed
US-4594465-A Compounds containing a fluorobiphenylyl group THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1986-06-10 US disclosed
EP-0132377-A2 Compounds containing a fluorobiphenylyl group and their use in liquid crystal materials and device The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-01-30 EP disclosed
EP-0117631-A1 Disubstituted ethanes and their use in liquid crystal materials and devices The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1984-09-05 EP disclosed