SCHEMBL7755328

SCHEMBL7755328

CCCCCOc1cc2c3cc(OCCCCC)c(OCCCCC)cc3c3cc(OS(=O)(=O)C(F)(F)F)c(OCCCCC)cc3c2cc1OCCCCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.40
S1PR3 Q99500 1/20 0.40
DRD2 P14416 2/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP19A1 P11511 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PLA2G2A P14555 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35

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
SCHEMBL2201723 0.78 TLR8 (0.43) PDE3BPDE3APLA2G2AALDH1A1HPGD
SCHEMBL12485055 0.78 PLA2G2D (0.40) PLA2G2DS1PR3CYP19A1THRATHRB
SCHEMBL12484336 0.78 PLA2G2D (0.40) PLA2G2DS1PR3CYP19A1THRATHRB
SCHEMBL10209719 0.77 SLC2A1 (0.44) DRD2DRD1DRD4DRD5DRD3
Iodide SCHEMBL8736416 0.76 PTGDR2 (0.47) PLA2G2DS1PR3DRD2DRD1DRD4
SCHEMBL6743869 0.76 NR5A1 (0.45) S1PR3PDE3BPDE3APLA2G2AALDH1A1
SCHEMBL8974064 0.76 NR5A1 (0.45) S1PR3PDE3BPDE3APLA2G2AALDH1A1
SCHEMBL20678395 0.76 NR5A1 (0.45) S1PR3PDE3BPDE3APLA2G2AALDH1A1
SCHEMBL12918761 0.76 NR5A1 (0.45) S1PR3PDE3BPDE3APLA2G2AALDH1A1
SCHEMBL202536 0.76 NR5A1 (0.45) S1PR3PDE3BPDE3APLA2G2AALDH1A1

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-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-0742197-A1 Triphenylenederivatives BASF AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed