SCHEMBL15036510

SCHEMBL15036510

CCCCCCNc1ccc(NC2=C/C(=N/c3ccc(NCCCCCCO)cc3)C(O)=C(CCC)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 17/20 0.33
▸ MPEG1 Q2M385 11/20 0.33
▸ XIAP P98170 2/20 0.33
▸ GPR84 Q9NQS5 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KAT2B Q92831 1/20 0.33

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
SCHEMBL15036533 0.98 KCNH3 (0.33) MEN1ALDH1A1KMT2AKCNH3
SCHEMBL16426662 0.82 RAB9A (0.42) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL16426056 0.81 IDO1 (0.37) ALOX5KDM4EMEN1ALDH1A1MAPT
SCHEMBL15036561 0.80 IDO1 (0.37) ALOX5MPEG1MEN1KMT2A
SCHEMBL16426665 0.80 RAB9A (0.34) MEN1MAPTMAPK1KMT2ATDP1
SCHEMBL16413387 0.76 DNM1 (0.38) GPR84ALDH1A1KCNH3
SCHEMBL16413389 0.76 DNM1 (0.38) GPR84ALDH1A1KCNH3
SCHEMBL15020327 0.75 L3MBTL1 (0.34) KDM4EMEN1ALDH1A1MAPTCYP2C9
SCHEMBL15020326 0.75 L3MBTL1 (0.34) KDM4EMEN1ALDH1A1MAPTCYP2C9
SCHEMBL16413377 0.74 ALOX5 (0.38) ALOX5MPEG1XIAPGPR84KDM4E

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
WO-2013087772-A1 TRI-AROMATIC AZOMETHINE DIRECT DYES COMPRISING AT LEAST ONE UNIT DERIVED FROM RESORCINOL, DYEING COMPOSITION, METHOD AND USE L'OREAL (FR) 2013-06-20 — — WO disclosed
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