SCHEMBL7044239

SCHEMBL7044239

O=[C]c1ccccc1C(=O)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.61
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CES2 O00748 1/20 0.44
SRD5A2 P31213 1/20 0.44
AKR1C3 P42330 3/20 0.42
MAPK1 P28482 2/20 0.42
CDC25B P30305 1/20 0.42

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
SCHEMBL64069 0.86 AKR1C3 (0.57) MAPTLMNAPKMMEN1KMT2A
SCHEMBL1331831 0.86 AKR1C3 (0.57) MAPTLMNAPKMMEN1KMT2A
SCHEMBL9798109 0.84 LIG1 (0.59) LIG1MAPTLMNAHPGDESR1
SCHEMBL7673359 0.84 AKR1C3 (0.61) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL9130311 0.84 NR4A1 (0.61) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9614636 0.82 LIG1 (0.79) LIG1MAPTLMNAHPGDESR1
SCHEMBL14995290 0.81 MAPT (0.50) LIG1MAPTLMNAHPGDESR1
SCHEMBL9080792 0.80 KMT2A (0.62) MAPTLMNAHPGDHTTMEN1
SCHEMBL4358130 0.80 MAPT (0.56) LIG1MAPTLMNAHPGDESR1
SCHEMBL10640903 0.79 MEN1 (0.59) LIG1MAPTLMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040260071-A1 Benzophene-linked crf and crf-like peptides for covalent labeling of corticotropin-releasing factor crf binding protein MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2004-12-23 US disclosed
EP-1402271-A2 BENZOPHENONE-LINKED CRF AND CRF-LIKE PEPTIDES FOR COVALENT LABELING OF CORTICOTROPIN-RELEASING FACTOR (CRF) BINDING PROTEIN Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-03-31 EP disclosed
WO-2002095395-A2 BENZOPHENONE-LINKED CRF AND CRF-LIKE PEPTIDES FOR COVALENT LABELING OF CORTICOTROPIN-RELEASING FACTOR (CRF) BINDING PROTEIN MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2002-11-28 WO disclosed