SCHEMBL11623017

SCHEMBL11623017

CCOC(=O)C=COc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 1/20 0.48
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL17513205 1.00 MAPT (0.54) MAPTALDH1A1KMT2ATSHRTDP1
SCHEMBL19377862 1.00 MAPT (0.54) MAPTALDH1A1KMT2ATSHRTDP1
SCHEMBL28507077 0.85 MAPT (0.45) MAPTALDH1A1KMT2ATSHRL3MBTL1
SCHEMBL28439526 0.85 ALDH1A1 (0.45) MAPTALDH1A1KMT2ATSHRL3MBTL1
SCHEMBL28432989 0.82 MAPT (0.45) MAPTALDH1A1KMT2ATSHRTDP1
SCHEMBL17513207 0.79 MAPT (0.55) MAPTALDH1A1KMT2ATSHRTDP1
SCHEMBL17513208 0.79 MAPT (0.55) MAPTALDH1A1KMT2ATSHRTDP1
SCHEMBL19378088 0.79 MAPT (0.55) MAPTALDH1A1KMT2ATSHRTDP1
SCHEMBL11656771 0.77 APP (0.48) MAPTALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL10463483 0.77 MAPT (0.48) MAPTALDH1A1KMT2ATSHRTDP1

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-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-4110462-A MICROBIOCIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-08-29 US disclosed
US-4082849-A FUNGICIDES, BACTERICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-04-04 US disclosed
US-4056622-A MICROBIOCIDES, FUNGICIDES, BACTERICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-01 US disclosed