SCHEMBL4529008

SCHEMBL4529008

O=C(c1ccccc1)C1(c2ccccc2)OC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.35
F2 P00734 1/20 0.35
MAPT P10636 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SRD5A2 P31213 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL9257647 0.84 PTGS2 (0.38) EPHX1ALDH1A1KMT2ANPSR1L3MBTL1
SCHEMBL8108217 0.84 PTGS2 (0.38) EPHX1ALDH1A1KMT2ANPSR1L3MBTL1
SCHEMBL8993499 0.84 PTGS2 (0.38) EPHX1ALDH1A1KMT2ANPSR1L3MBTL1
SCHEMBL14968177 0.77 CYP3A4 (0.51) ALDH1A1KMT2ANPSR1MAPTATM
SCHEMBL14968090 0.76 ALDH1A1 (0.40) ALDH1A1KMT2ANPSR1L3MBTL1PTGS2
SCHEMBL8746743 0.74 ALDH1A1 (0.34) ALDH1A1KMT2AL3MBTL1LMNAF2
SCHEMBL11245264 0.74 KMT2A (0.43) EPHX1ALDH1A1KMT2ANPSR1L3MBTL1
SCHEMBL10338619 0.74 EPHX1 (0.41) EPHX1ALDH1A1KMT2ANPSR1L3MBTL1
SCHEMBL14968092 0.73 CYP3A4 (0.38) ALDH1A1KMT2ANPSR1L3MBTL1LMNA
SCHEMBL14967286 0.73 RORC (0.39) KMT2ANPSR1L3MBTL1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040319-A1 METHODS OF IMPROVING CANCER CHEMOTHERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-28 WO disclosed
WO-2017120012-A1 METHODS OF TREATING MENTAL DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-13 WO disclosed
WO-2009105723-A2 NOVEL METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX, INC. (US) 2009-08-27 WO disclosed
WO-2000023060-A2 METHOD OF TREATING IMMUNOLOGICAL DISORDERS MEDIATED BY T-LYMPHOCYTES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-27 WO disclosed