SCHEMBL8309864

SCHEMBL8309864

CC(C)C(=O)N[C@@H](C)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.57
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.53

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
SCHEMBL8310720 1.00 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL14521538 1.00 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL5473681 0.84 SMN1; SMN2 (0.64) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL619526 0.82 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL3985690 0.82 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL255664 0.82 CYP1A2 (0.71) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL255663 0.82 CYP1A2 (0.71) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL2007222 0.82 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL255679 0.82 CYP1A2 (0.71) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL14521516 0.82 ACACB (0.49) POLBLMNA

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 2 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
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed