SCHEMBL27610832

SCHEMBL27610832

C[C@H](N)C(=O)Oc1cc2cccc3ccc4cccc1c4c32

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL20425534 0.88 ALDH1A1 (0.42) KMT2AMEN1CYP1A2ERBB2FYN
SCHEMBL246709 0.77 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL8458747 0.77 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL4600933 0.77 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL19999169 0.71 KMT2A (0.41) KMT2AMEN1CYP1A2ALDH1A1HPGD
SCHEMBL15620820 0.71 NCEH1 (0.62) CYP1A2ALDH1A1HPGDMAPTNCEH1
SCHEMBL16241709 0.71 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL6511350 0.71 ALDH1A1 (0.42) KMT2AMEN1CYP1A2ALDH1A1HPGD
Pyrene SCHEMBL4782088 0.70 KMT2A (0.50) KMT2AMEN1CYP1A2ALDH1A1HPGD
SCHEMBL5057152 0.70 MAOB (0.52) KMT2AMEN1CYP1A2MAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1639569-B Methods and compositions for inducing an immune response CHEMOCENTRYX 2012-09-05 — — CN disclosed
CN-102023220-A Methods of diagnosing cervical cancer ARBOR VITA CORP 2011-04-20 — — CN disclosed
CN-1695058-B method for diagnosing cervical cancer ARBOR VITA CORP 2011-04-13 — — CN disclosed
CN-1695058-A method for diagnosing cervical cancer ARBOR VITA CORP (US) 2005-11-09 — — CN disclosed
CN-1639569-A Methods and compositions for inducing an immune response CHEMOCENTRYX INC (US) 2005-07-13 — — CN disclosed
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