SCHEMBL3081576

SCHEMBL3081576

O=c1oc2c3ccccc3ccc2c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARSA P15289 1/20 0.56
CDC25A P30304 1/20 0.56
CDC25C P30307 1/20 0.56
KMT2A Q03164 2/20 0.54
ESR2 Q92731 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 6/20 0.51
HPGD P15428 6/20 0.51
KDM4E B2RXH2 6/20 0.51
MAPT P10636 4/20 0.51
HTT P42858 4/20 0.51
CYP1A1 P04798 3/20 0.51
CYP1B1 Q16678 3/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 1/20 0.51
PDE5A O76074 1/20 0.51

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
SCHEMBL17384172 0.96 HPRT1 (0.56) ARSACDC25ACDC25CKMT2AESR2
SCHEMBL17384169 0.96 HPRT1 (0.56) ARSACDC25ACDC25CKMT2AESR2
SCHEMBL17384095 0.87 ARSA (0.64) ARSACDC25ACDC25CKMT2AL3MBTL1
SCHEMBL7472194 0.83 NPSR1 (0.61) ARSACDC25ACDC25CKMT2AESR2
SCHEMBL5470220 0.83 HPRT1 (0.57) ARSACDC25ACDC25CKMT2AL3MBTL1
SCHEMBL30154375 0.83 HPRT1 (0.57) ARSACDC25ACDC25CKMT2AL3MBTL1
SCHEMBL7915211 0.81 KDM4E (0.61) ARSACDC25ACDC25CKMT2AESR2
SCHEMBL13085233 0.81 HPRT1 (0.70) KMT2AL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL3584109 0.80 ALDH1A1 (0.49) ARSACDC25ACDC25CKMT2AL3MBTL1
SCHEMBL30880452 0.80 ESR2 (0.57) KMT2AESR2ALDH1A1HPGDKDM4E

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-2015199141-A1 COUMALIN-BASED CONDENSED RING COMPOUND EXHIBITING LUMINESCENCE/SEMICONDUCTOR PROPERTIES, AND METHOD FOR MANUFACTURING SAME 国立大学法人 群馬大学 2015-12-30 WO disclosed
US-7799904-B2 Gilvocarcin gene cluster, recombinant production and use thereof UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-09-21 US disclosed
US-20050048536-A1 Gilvocarcin gene cluster, recombinant production and use thereof KENTUCKY RESEARCH FOUNDATION, UNIVERSITY OF 2005-03-03 US disclosed
US-3973966-A Photochromic composition containing a diphenyl dibenzochrom-3-ene XEROX CORPORATION (US) 1976-08-10 US disclosed