SCHEMBL8519007

SCHEMBL8519007

CCCCCCCOc1ccc(C#Cc2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
TSHR P16473 2/20 0.51
LTA4H P09960 3/20 0.50
TP53 P04637 1/20 0.50
FAAH O00519 1/20 0.49
PLA2G4B P0C869 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8376570 0.98 NR5A1 (0.53) NR5A1TSHRLTA4HTP53FAAH
SCHEMBL8377181 0.95 TSHR (0.55) NR5A1TSHRLTA4HTP53FAAH
SCHEMBL9512440 0.93 CYP2D6 (0.51) NR5A1TSHRLTA4HTP53FAAH
SCHEMBL10300046 0.91 NR5A1 (0.66) NR5A1TSHRLTA4HTP53PLA2G4B
SCHEMBL15559300 0.91 NR5A1 (0.66) NR5A1TSHRLTA4HTP53PLA2G4B
SCHEMBL24398901 0.91 NR5A1 (0.66) NR5A1TSHRLTA4HTP53FAAH
SCHEMBL10825058 0.91 NR5A1 (0.66) NR5A1TSHRLTA4HTP53FAAH
SCHEMBL15924079 0.91 NR5A1 (0.66) NR5A1TSHRLTA4HTP53FAAH
SCHEMBL9508533 0.90 CYP2D6 (0.54) TSHRTP53FAAHKDM4EL3MBTL1
SCHEMBL5169009 0.89 NR5A1 (0.62) NR5A1TSHRLTA4HTP53FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP claimed
US-20150340612-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340612-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
EP-0438547-B2 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-07-07 EP disclosed
EP-0438547-B1 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-12-14 EP disclosed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed
EP-0438547-A1 SUPER-TWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1991-07-31 EP disclosed
WO-1991000898-A1 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-01-24 WO disclosed
EP-0396959-A1 Liquid crystal OMI-type display device MERCK PATENT GmbH (DE) 1990-11-14 EP disclosed
EP-0308438-A1 Liquid crystal phase containing tolanes. MERCK PATENT GMBH (DE) 1989-03-29 EP disclosed
WO-1988007514-A1 TOLANES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed