SCHEMBL8549771

SCHEMBL8549771

COC(COC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
ADRB2 P07550 3/20 0.55
ADRB1 P08588 3/20 0.55
ADRB3 P13945 3/20 0.55
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 2/20 0.48
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SLC1A5 Q15758 1/20 0.45
PRKCA P17252 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 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
SCHEMBL19214520 0.85 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL13168067 0.83 ALDH1A1 (0.47) ALDH1A1TSHRKMT2A
SCHEMBL784821 0.81 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL21386572 0.81 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3SLC1A5
SCHEMBL6937392 0.80 TSHR (0.54) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL23817190 0.80 KMT2A (0.44) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL22474313 0.80 KMT2A (0.44) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL11185985 0.79 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL91606 0.79 L3MBTL1 (0.59) ALDH1A1LMNATDP1TSHRKMT2A
SCHEMBL17429724 0.79 ALDH1A1 (0.62) ALDH1A1ADRB2ADRB1ADRB3LMNA

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
EP-0737187-B1 BENZOXAZINE DERIVATIVES, METHODS FOR OBTAINING SAME AND THEIR USE AS DRUGS PHARMASCIENCE LAB (FR) 1999-05-06 EP disclosed
EP-0737187-A1 BENZOXAZINE DERIVATIVES, METHODS FOR OBTAINING SAME AND THEIR USE AS DRUGS Laboratoires Pharmascience (FR) 1996-10-16 EP disclosed
WO-1995018114-A1 BENZOXAZINE DERIVATIVES, METHODS FOR OBTAINING SAME AND THEIR USE AS DRUGS LABORATOIRES PHARMASCIENCE (FR) 1995-07-06 WO disclosed