SCHEMBL8310378

SCHEMBL8310378

CC(C)C(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
ERCC1 P07992 1/20 0.64
ERCC4 Q92889 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.59
HRH3 Q9Y5N1 1/20 0.57
HPGD P15428 1/20 0.56
PTGES O14684 7/20 0.54
F7 P08709 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL16671195 0.87 ERCC1 (0.60) TSHRERCC1ERCC4PTGES
SCHEMBL18251688 0.87 ERCC1 (0.60) TSHRERCC1ERCC4SMN1; SMN2HRH3
SCHEMBL18133710 0.87 TSHR (0.62) TSHRERCC1ERCC4SMN1; SMN2HRH3
SCHEMBL17977292 0.86 ERCC1 (0.59) TSHRERCC1ERCC4PTGES
Hydrochloric Acid SCHEMBL18130580 0.86 TSHR (0.60) TSHRERCC1ERCC4SMN1; SMN2HRH3
SCHEMBL14368077 0.86 ERCC1 (0.59) TSHRERCC1ERCC4PTGESLMNA
SCHEMBL18791419 0.84 TSHR (0.68) TSHRERCC1ERCC4SMN1; SMN2HRH3
SCHEMBL14782824 0.84 PTGES (0.59) TSHRERCC1ERCC4PTGESALDH1A1
SCHEMBL22060011 0.84 NR1H4 (0.59) TSHRERCC1ERCC4SMN1; SMN2HRH3
SCHEMBL29463256 0.84 PTGES (0.59) TSHRERCC1ERCC4PTGESALDH1A1

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
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed