SCHEMBL7548898

SCHEMBL7548898

CCOC(=O)C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GPR35 Q9HC97 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CASP1 P29466 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
MAPT P10636 2/20 0.44
METTL3 Q86U44 1/20 0.44
P2RX7 Q99572 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NLRP3 Q96P20 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 3/20 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
SCHEMBL30628231 0.87 ALDH1A1 (0.53) TSHRGPR35ALDH1A1LMNACASP1
SCHEMBL17420759 0.87 ALDH1A1 (0.53) TSHRGPR35ALDH1A1LMNACASP1
SCHEMBL5318594 0.86 CES2 (0.59) TSHRGPR35ALDH1A1LMNACASP1
SCHEMBL11418791 0.83 TSHR (0.63) TSHRTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30093422 0.83 GPR35 (0.43) TSHRGPR35ALDH1A1LMNACASP1
SCHEMBL11240221 0.81 ERCC5 (0.63) TSHRGPR35TAS1R3TAS1R1TAS1R2
SCHEMBL5528116 0.81 GPR35 (0.50) GPR35ALDH1A1LMNASMN1; SMN2CASP1
SCHEMBL11516532 0.78 METTL3 (0.58) GPR35ALDH1A1LMNAMAPTMETTL3
SCHEMBL9364427 0.78 GPR35 (0.43) TSHRGPR35TAS1R3TAS1R1TAS1R2
SCHEMBL12952931 0.78 ERCC5 (0.58) TSHRGPR35TAS1R3TAS1R1TAS1R2

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
EP-0800520-B1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE WELLCOME FOUND (GB) 2002-06-19 EP disclosed
US-5912345-A CHEMICAL CONDENSATION WITH CYCLIZATION AFTER TREATMENT WITH ULTRAVIOLET OR VISIBLE RADIATION GLAXO WELLCOME INC. (US) 1999-06-15 US disclosed
EP-0800520-A1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-15 EP disclosed
WO-1996020934-A1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-11 WO disclosed