SCHEMBL6848394

SCHEMBL6848394

O=C(Cl)CCCCCCCCCC=C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.34
ABCC4 O15439 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
FAAH O00519 4/20 0.32
EP300 Q09472 1/20 0.32
CES1 P23141 2/20 0.32
TERT O14746 2/20 0.31

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
SCHEMBL6339247 0.91 ALDH1A1 (0.42) ALDH1A1TSHRTP53
SCHEMBL7747368 0.81
SCHEMBL8773549 0.80 MAPT (0.56) TSHRMAPTABCC4FAAHTERT
SCHEMBL6252970 0.80 FAAH (0.50) ALDH1A1TP53MAPTABCC4HDAC3
SCHEMBL6252065 0.80 MAPT (0.56) TSHRMAPTABCC4FAAHTERT
SCHEMBL6821345 0.80 MAPT (0.56) TSHRMAPTABCC4FAAHTERT
SCHEMBL6821586 0.80 FAAH (0.50) ALDH1A1TP53MAPTABCC4HDAC3
Hydrochloric Acid SCHEMBL6848395 0.78 MAPT (0.54) TSHRMAPTABCC4FAAHTERT
SCHEMBL9712564 0.78 PAOX (0.46) ALDH1A1MAPTFAAHEP300TERT
SCHEMBL2154041 0.75 TSHR (0.72) ALDH1A1TSHRTP53HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661289-B1 Vinyl carboxamide derivatives as insecticides and acaricides SYNGENTA PARTICIPATIONS AG (CH) 2004-03-03 EP disclosed
US-5763481-A PESTICIDES; INSECTICIDES, MITICIDES NOVARTIS CORPROATION (US) 1998-06-09 US disclosed
US-5545630-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1996-08-13 US disclosed
EP-0661289-A1 Vinyl carboxamide derivatives as insecticides and acaricides CIBA-GEIGY AG (CH) 1995-07-05 EP disclosed
US-4950666-A INSECTS, ACARIDS, AND NEMATODES FMC CORPORATION (US) 1990-08-21 US disclosed