SCHEMBL8465621

SCHEMBL8465621

O=C(c1ccccc1)c1cc(F)ccc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 3/20 0.53
CYP2C9 P11712 2/20 0.53
MAPK14 Q16539 2/20 0.49
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
MAPT P10636 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44

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
SCHEMBL8465626 0.93 CYP2C9 (0.53) CYP2C8CYP2C9MAPK14SLC6A4SLC6A3
SCHEMBL13291398 0.86 ITGB1 (0.50) CYP2C8CYP2C9MAPK14SLC6A4SLC6A3
SCHEMBL5959807 0.81 CYP2C9 (0.58) CYP2C8CYP2C9ALDH1A1HCRTR1HCRTR2
SCHEMBL31586500 0.80 HSD17B10 (0.58) SLC6A4SLC6A3ALDH1A1BCL2L1BAD
SCHEMBL6498591 0.80 HSD17B10 (0.58) SLC6A4SLC6A3ALDH1A1BCL2L1BAD
SCHEMBL27692663 0.79 MAPK13 (0.55) CYP2C8MAPK14SLC6A4SLC6A3ALDH1A1
SCHEMBL13291399 0.79 CHRNA7 (0.53) CYP2C8CYP2C9SLC6A4SLC6A3ALDH1A1
SCHEMBL13291400 0.79 CHRNA7 (0.55) CYP2C8HCRTR1HCRTR2BCL2L1
SCHEMBL13291402 0.79 CHRNA7 (0.55) CYP2C8HCRTR1HCRTR2BCL2L1
SCHEMBL17796951 0.79 FOLH1 (0.57) ALDH1A1MAPTAKR1C3HTT

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-0397356-B1 Aromatic polyether VICTREX MFG LTD (GB) 1999-02-03 EP disclosed
US-5824402-A COPOLYMER OF DIHYDROXYBENZOPHENONE AND DIHYDROXYDIPHENYL SULFONE, LOWER MELTING POINT VICTREX MANUFACTURING LTD. (GB) 1998-10-20 US disclosed
US-5654393-A CONTAINING KETONE AND SULFONE LINKED PHENYL UNITS IN A MOLAR RATIO RANGING BETWEEN 98:2 AND 80:20 WITHIN THE POLYETHER BACKBONE; HEAT, CHEMICAL AND SOLVENT RESISTANCE; COMPRESSIVE STRENGTH; MELT PROCESSABILITY VICTREX MANUFACTURING LIMITED (GB) 1997-08-05 US disclosed
EP-0397356-A2 Aromatic polyether IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-14 EP disclosed