SCHEMBL9150276

SCHEMBL9150276

CC(C)(C)Sc1c(CO)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.80
ALOX5 P09917 7/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2C9 P11712 2/20 0.80
CYP2D6 P10635 1/20 0.80
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62

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
SCHEMBL9216414 0.94 ALOX5AP (0.78) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9146019 0.92 ALOX5AP (0.81) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL13920496 0.92 ALOX5AP (0.83) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9218603 0.89 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL30505315 0.89 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL502947 0.89 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL29370879 0.89 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL29372303 0.89 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9148924 0.89 ALOX5AP (0.80) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL9306864 0.89 ALOX5AP (0.98) ALOX5APALOX5CYP3A4CYP2C9CYP2D6

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-5399699-A Lipoxygenase inihibitors, antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1995-03-21 US disclosed