SCHEMBL6503149

SCHEMBL6503149

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
NLRP3 Q96P20 1/20 0.40
ALOX12 P18054 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL6503145 1.00 MAPT (0.50) MAPTLMNAL3MBTL1TSHRALDH1A1
SCHEMBL6503152 1.00 MAPT (0.50) MAPTLMNAL3MBTL1TSHRALDH1A1
SCHEMBL9510890 0.80 TSHR (0.47) MAPTLMNAL3MBTL1TSHRALDH1A1
SCHEMBL4146557 0.80 TSHR (0.47) MAPTLMNAL3MBTL1TSHRALDH1A1
SCHEMBL11418791 0.79 TSHR (0.63) MAPTLMNAL3MBTL1TSHRALDH1A1
SCHEMBL1066358 0.78 MAPT (0.47) MAPTLMNAL3MBTL1TSHRALDH1A1
SCHEMBL1066360 0.78 MAPT (0.47) MAPTLMNAL3MBTL1TSHRALDH1A1
SCHEMBL1066356 0.78 MAPT (0.47) MAPTLMNAL3MBTL1TSHRALDH1A1
SCHEMBL8297430 0.77 TSHR (0.60) TSHRALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL17169101 0.77 KDM4E (0.49) MAPTLMNAL3MBTL1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed