SCHEMBL9826644

SCHEMBL9826644

CCOC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2Cl)c1-n1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MITF O75030 1/20 0.37
P2RX3 P56373 2/20 0.36

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
SCHEMBL9825265 1.00 CCNC (0.39) CCNCCDK8MAPTALDH1A1SMN1; SMN2
SCHEMBL9825639 0.93 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9825635 0.93 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9825707 0.87 LMNA (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9825713 0.87 LMNA (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3680916 0.79 ALDH1A1 (0.42) CCNCCDK8MAPTALDH1A1SMN1; SMN2
SCHEMBL10924250 0.74 MAPT (0.39) CCNCCDK8MAPTALDH1A1SMN1; SMN2
SCHEMBL10924252 0.74 MAPT (0.39) CCNCCDK8MAPTALDH1A1SMN1; SMN2
Ethyl 3-(2,4-Dichlorophenyl)Acrylate SCHEMBL28066301 0.72 LMNA (0.53) CCNCCDK8MAPTALDH1A1SMN1; SMN2
Ethyl 3-(2,4-Dichlorophenyl)Acrylate SCHEMBL1895655 0.71 MAPT (0.58) MAPTALDH1A1SMN1; SMN2NPC1POLB

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-0195414-B1 2-AZOLYLPROPIONATE DERIVATIVES AND FUNGICIDES CONTAINING THE SAME SDS Biotech K.K. (JP) 1991-02-27 EP disclosed
US-4767752-A Imidazolyl or triazolyl substituted propionate derivative and nonmedical fungicide containing the same S.D.S. BIOTECH K.K. (JP) 1988-08-30 US disclosed
EP-0195414-A2 2-Azolylpropionate derivatives and fungicides containing the same SDS Biotech K.K. (JP) 1986-09-24 EP disclosed