SCHEMBL7601262

SCHEMBL7601262

BrCCCCc1cc(CCCCI)cc(CCCCI)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.31
PTGS2 P35354 3/20 0.31
CYP3A4 P08684 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL7600688 0.88
SCHEMBL7596342 0.87 ALOX15 (0.38)
SCHEMBL16675038 0.87 PTGS2 (0.37) GPR84PTGS2CYP3A4
SCHEMBL7598822 0.86 THRA (0.41) PTGS2CYP3A4THRATHRB
SCHEMBL1878866 0.85 PTGS2 (0.39) GPR84PTGS2CYP3A4THRATHRB
SCHEMBL14466905 0.85 PTGS2 (0.36) GPR84PTGS2CYP3A4THRATHRB
SCHEMBL7600338 0.83 ALDH1A1 (0.40)
SCHEMBL7601347 0.83 ALOX15 (0.38)
SCHEMBL12671956 0.79 TDP1 (0.35) GPR84PTGS2CYP3A4
SCHEMBL11709675 0.76 PTGS2 (0.40) GPR84PTGS2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020028886-A1 Fluorocopolymer and process for preparing the same NIPPON MEKTRON, LTD. 2002-03-07 US disclosed
US-6281312-B1 USING AN ORGANOHALOGEN COMPOUND NIPPON MEKTRON, LTD. (JP) 2001-08-28 US disclosed