SCHEMBL3458097

SCHEMBL3458097

CCCCCCCCOc1c[c]ccc1OCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ESR1 P03372 2/20 0.39
MCHR1 Q99705 1/20 0.39
TLR8 Q9NR97 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL7111290 1.00 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL1664104 1.00 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL6200775 1.00 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL7114600 1.00 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL27269202 1.00 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL17416897 1.00 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL1451260 1.00 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL27265460 0.98 NR5A1 (0.44) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL7110497 0.98 NR5A1 (0.44) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL677544 0.98 MEN1 (0.39) NR5A1MEN1NR1I2LMNACHRM2

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
CN-106008558-B The polycyclic aromatic hydrocarbon organic semiconducting materials of one kind based on thiadiazoles and preparation method thereof and in photoelectric device application 南京邮电大学 2019-01-08 CN disclosed
EP-2169010-A2 Method of producing organic pigment fine-particles, organic pigment fine-particles obtained thereby, liquid dispersion thereof, and composition thereof FUJIFILM Corporation (JP) 2010-03-31 EP disclosed
EP-1349822-A1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2003-10-08 EP disclosed
WO-2002055463-A1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2002-07-18 WO disclosed
US-5849216-A Compounds for use in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
CN-1022409-C Liquid crystal cyclicpropylalkyl or alkenyl heterocyclic compound and process for preparing same HOECHST AG (DE) 1993-10-13 CN disclosed
CN-1039019-A Liquid crystal cyclopropyl alkyl or alkenyl heterogeneous ring compound, its preparation method and the application in liquid crystal compound HOECHST AG (DE) 1990-01-24 CN disclosed