SCHEMBL11787732

SCHEMBL11787732

CNC1=CC(=Nc2ccc(O)c(Cl)c2)C(C)=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ FAAH O00519 1/20 0.34
▸ TXNRD1 Q16881 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11410488 0.86 PTGS1 (0.36) PTGS1PTGS2FAAHKDM4EMEN1
SCHEMBL11311903 0.84 PTGS1 (0.34) PTGS1PTGS2FAAHMAPTBLM
SCHEMBL15039790 0.79 DNM1 (0.49) PTGS1PTGS2MEN1NPC1ALDH1A1
SCHEMBL11256805 0.76 KDM4E (0.33) KDM4EALDH1A1GAACA1CA2
SCHEMBL15039580 0.74 DNM1 (0.42) PTGS1PTGS2MEN1ALDH1A1POLB
SCHEMBL15020067 0.74 DNM1 (0.42) PTGS1PTGS2MEN1ALDH1A1POLB
SCHEMBL15020065 0.74 DNM1 (0.42) PTGS1PTGS2MEN1ALDH1A1POLB
SCHEMBL15039793 0.74 DNM1 (0.40) PTGS1PTGS2FAAHKDM4EMEN1
SCHEMBL15020488 0.73 DNM1 (0.38) PTGS1PTGS2FAAHMEN1ALDH1A1
SCHEMBL15020486 0.73 DNM1 (0.38) PTGS1PTGS2FAAHMEN1ALDH1A1

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-3953508-A Diphenylamines for dyeing keratinous fibers L'OREAL (FR) 1976-04-27 — — US disclosed
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