SCHEMBL9199309

SCHEMBL9199309

CCC=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL11994159 0.83 POLB (0.49) HTR7CES2CES1PTGS2POLB
SCHEMBL14604997 0.80 ALOX5 (0.44) HTR7CES2CES1PTGS2POLB
SCHEMBL11994148 0.79 HTR7 (0.50) HTR7PTGS2POLBGAA
SCHEMBL8553233 0.79 CES2 (0.42) CES2CES1PTGS2PTPN1NPC1
SCHEMBL11568766 0.78 HTR7 (0.40) HTR7CES2CES1POLBGAA
SCHEMBL14288473 0.78 ESR1 (0.52) HTR7POLBGAA
SCHEMBL9377885 0.77 PTPN1 (0.48) HTR7CES2CES1PTGS2PTPN1
SCHEMBL5674623 0.77 CES2 (0.41) CES2CES1PTGS2PTPN1NPC1
SCHEMBL11399503 0.77 MTNR1A (0.41) CES2CES1PTGS2POLBGAA
SCHEMBL1226475 0.76 MTNR1A (0.52) PSMB1PSMB5PSMB2PDE4APDE4B

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-0354539-B1 Antiinflammatory carbinoloimidazoles DU PONT MERCK PHARMA (US) 1995-04-05 EP disclosed
EP-0354539-A2 Antiinflammatory carbinoloimidazoles THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-02-14 EP disclosed
US-4859693-A Antiinflammatory carbinoloimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed