SCHEMBL10198932

SCHEMBL10198932

Cc1ccc(C(C)(c2ccc(-c3cncc(O)c3)cc2)C(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.51
HSD17B1 P14061 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NR1I2 O75469 1/20 0.32
CYP2C9 P11712 1/20 0.32
HDAC1 Q13547 1/20 0.32
LGMN Q99538 1/20 0.32
LOXL2 Q9Y4K0 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
SCHEMBL480206 0.80 ALOX5AP (0.64) ALOX5APNR1I2CYP2C9LGMN
SCHEMBL10197150 0.78 ALOX5AP (0.70) ALOX5APCYP11B1CYP11B2CYP2C9
SCHEMBL14397148 0.77 ALOX5AP (0.43) ALOX5AP
SCHEMBL14396912 0.77 ALOX5AP (0.43) ALOX5AP
SCHEMBL31226448 0.73 HSD17B1 (0.56) HSD17B1CYP11B1CYP11B2HDAC1LOXL2
SCHEMBL13262244 0.73 ALOX5AP (0.47) ALOX5AP
SCHEMBL14397218 0.71 ALOX5AP (0.55) ALOX5APNR1I2CYP2C9
SCHEMBL480222 0.69 ALOX5AP (0.67) ALOX5APCYP11B1CYP11B2CYP2C9HDAC1
SCHEMBL480237 0.69 ALOX5AP (0.64) ALOX5APCYP11B1CYP11B2CYP2C9HDAC1
SCHEMBL10199332 0.69 ALOX5AP (0.47) ALOX5AP

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
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed