SCHEMBL464988

SCHEMBL464988

CC(C)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
GABRA1 P14867 3/20 0.50
GABRB2 P47870 2/20 0.50
ESR1 P03372 5/20 0.48
ESR2 Q92731 4/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
PTGS1 P23219 2/20 0.46
SLC6A2 P23975 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
TSHR P16473 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL1758062 0.89 TDP1 (0.64) TDP1ALDH1A1GAAKMT2AESR1
SCHEMBL11404642 0.82 GABRA1 (0.46) TDP1ALDH1A1GAAKMT2AGABRA1
SCHEMBL465062 0.79 ALDH1A1 (0.55) TDP1ALDH1A1GAAKMT2AESR1
SCHEMBL2863812 0.78 TDP1 (0.58) TDP1ALDH1A1GAAKMT2AGABRA1
SCHEMBL9768857 0.78 GABRA1 (0.46) KMT2AGABRA1GABRB2LMNACYP1A2
Hydroquinone SCHEMBL6829576 0.77 GABRA1 (0.52) TDP1ALDH1A1GAAKMT2AGABRA1
4-Aminophenol SCHEMBL29043966 0.77 CYP3A4 (0.56) ALDH1A1GABRA1GABRB2ESR1ESR2
SCHEMBL24711490 0.76 ALDH1A1 (0.56) TDP1ALDH1A1GAAKMT2AESR1
SCHEMBL1758097 0.76 GABRA1 (0.57) TDP1ALDH1A1GAAKMT2AGABRA1
SCHEMBL3760591 0.76 ESR1 (0.68) TDP1ALDH1A1GAAKMT2AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360238-B1 DATA STORAGE MEDIA CONTAINING TRANSPARENT POLYCARBONATE BLENDS SABIC INNOVATIVE PLASTICS IP (NL) 2012-01-11 EP disclosed
US-6949279-B2 Data storage media containing transparent polycarbonate blends GENERAL ELECTRIC COMPANY (US) 2005-09-27 US disclosed
US-6936324-B2 Data storage media containing transparent polycarbonate blends GENERAL ELECTRIC COMPANY (US) 2005-08-30 US disclosed
US-6933034-B2 Data storage media containing transparent polycarbonate blends GENERAL ELECTRIC COMPANY (US) 2005-08-23 US disclosed
US-20040024125-A1 Data storage media containing transparent polycarbonate blends SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2004-02-05 US disclosed
US-20030229181-A1 Data storage media containing transparent polycarbonate blends SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2003-12-11 US disclosed
US-20030225214-A1 Data storage media containing transparent polycarbonate blends SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2003-12-04 US disclosed
US-20030225215-A1 Data storage media containing transparent polycarbonate blends HARIHARAN RAMESH (US) 2003-12-04 US disclosed
EP-1360238-A2 DATA STORAGE MEDIA CONTAINING TRANSPARENT POLYCARBONATE BLENDS General Electric Company A Corporation of the State of New York (US) 2003-11-12 EP disclosed
US-6593425-B2 Optical recording media GENERAL ELECTRIC COMPANY 2003-07-15 US disclosed
US-20020035207-A1 Data storage media containing transparent polycarbonate blends SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2002-03-21 US disclosed
WO-2001092419-A2 DATA STORAGE MEDIA CONTAINING TRANSPARENT POLYCARBONATE BLENDS GENERAL ELECTRIC COMPANY (US) 2001-12-06 WO disclosed