SCHEMBL7753974

SCHEMBL7753974

CCCCCOc1c(OCCCCC)c(OCCCCC)c2c3c(OCCCCC)cccc3c3ccccc3c2c1OCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTR1B P28222 5/20 0.43
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
HTR1D P28221 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL6742971 0.98 CYP2C9 (0.45) CYP2C9CYP1A2CYP2C19HTR1BMEN1
SCHEMBL276217 0.88 CYP2C9 (0.46) CYP2C9CYP1A2CYP2C19HTR1BMEN1
SCHEMBL8755471 0.87 HTR1B (0.50) CYP2C9CYP1A2CYP2C19HTR1BMEN1
SCHEMBL6739226 0.87 LTA4H (0.49) CYP2C9CYP1A2CYP2C19MEN1NR1I2
SCHEMBL5892306 0.87 CYP2C9 (0.45) CYP2C9CYP1A2CYP2C19MEN1NR1I2
SCHEMBL6556268 0.87 CYP2C9 (0.45) CYP2C9CYP1A2CYP2C19MEN1NR1I2
SCHEMBL1119037 0.87 CYP2C9 (0.45) CYP2C9CYP1A2CYP2C19MEN1NR1I2
SCHEMBL4783208 0.86 HTR1B (0.38) CYP2C9CYP1A2CYP2C19HTR1BMEN1
SCHEMBL20678465 0.85 MEN1 (0.51) CYP2C9CYP1A2CYP2C19HTR1BMEN1
SCHEMBL28897589 0.85 MEN1 (0.51) CYP2C9CYP1A2CYP2C19HTR1BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862604-B1 USE OF ORGANIC COMPOUNDS PRESENT IN THE LIQUID-CRYSTALLINE PHASE DISCOTIC IN A PLASTIC-COLUMNAR MANNER FOR CONVEYING ELECTRICAL CHARGES SIEMENS AG (DE) 2001-02-21 EP disclosed
US-6099750-A PRODUCING ELECTRIC CHARGES IN THE ORGANIC CHARGE TRANSPORTING COMPOUND WHICH IS IN THE PLASTIC COLUMNAR DISCOTIC LIQUID CRYSTAL PHASE; APPLYING A VOLTAGE TO THE ORGANIC CHARGE TRANSPORTING COMPOUND SIEMENS AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
EP-0862604-A1 USE OF ORGANIC COMPOUNDS PRESENT IN THE LIQUID-CRYSTALLINE PHASE DISCOTIC IN A PLASTIC-COLUMNAR MANNER FOR CONVEYING ELECTRICAL CHARGES SIEMENS AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997019142-A2 USE OF ORGANIC COMPOUNDS PRESENT IN THE LIQUID-CRYSTALLINE PHASE DISCOTIC IN A PLASTIC-COLUMNAR MANNER FOR CONVEYING ELECTRICAL CHARGES SIEMENS AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed