SCHEMBL6302467

SCHEMBL6302467

CCCCC(Br)CCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.59
PPARG P37231 2/20 0.59
PPARA Q07869 2/20 0.59
PTGES O14684 1/20 0.59
LTA4H P09960 2/20 0.53
LSS P48449 1/20 0.51
CYP2D6 P10635 4/20 0.51
CYP3A4 P08684 3/20 0.51
CYP19A1 P11511 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.48
RARB P10826 4/20 0.47

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
SCHEMBL3791089 0.90 LTA4H (0.59) ALOX5PPARGPPARAPTGESLTA4H
SCHEMBL27696496 0.89 LSS (0.53) ALOX5PPARGPPARAPTGESLTA4H
SCHEMBL5551477 0.85 LTA4H (0.70) ALOX5PPARGPPARAPTGESLTA4H
SCHEMBL9158869 0.85 LTA4H (0.70) ALOX5PPARGPPARAPTGESLTA4H
SCHEMBL8993234 0.84 PPARG (0.59) ALOX5PPARGPPARAPTGESLTA4H
SCHEMBL7743299 0.84 RARB (0.70) ALOX5PPARGPPARAPTGESMAPK1
SCHEMBL9145902 0.84 LTA4H (0.57) ALOX5PPARGPPARALTA4HCYP3A4
SCHEMBL31474674 0.84 LTA4H (0.57) ALOX5PPARGPPARALTA4HCYP3A4
SCHEMBL28594432 0.84 CHRNA7 (0.52) ALOX5PPARGPPARAPTGESLTA4H
SCHEMBL7212160 0.83 LTA4H (0.55) ALOX5PPARGPPARALTA4HCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867243-B2 Light emitting polymer UNIVERSITY OF HULL (GB) 2005-03-15 US disclosed