SCHEMBL3380718

SCHEMBL3380718

C[C@H](Nc1cccc(Br)c1Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GPR35 Q9HC97 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3879022 0.83 MEN1 (0.50) CXCL8ALDH1A1LMNASMN1; SMN2CXCR2
SCHEMBL15568879 0.83 MEN1 (0.50) CXCL8ALDH1A1LMNASMN1; SMN2CXCR2
SCHEMBL15568569 0.83 MEN1 (0.50) CXCL8ALDH1A1LMNASMN1; SMN2CXCR2
SCHEMBL1983999 0.83 LMNA (0.47) ALDH1A1LMNASMN1; SMN2ATML3MBTL1
SCHEMBL29430352 0.83 LMNA (0.47) ALDH1A1LMNASMN1; SMN2ATML3MBTL1
SCHEMBL3381057 0.83 LMNA (0.47) ALDH1A1LMNASMN1; SMN2ATML3MBTL1
Hydrochloric Acid SCHEMBL28022283 0.81 LMNA (0.46) ALDH1A1LMNASMN1; SMN2ATML3MBTL1
SCHEMBL28581260 0.81 RXFP1 (0.45) ALDH1A1LMNASMN1; SMN2ATML3MBTL1
SCHEMBL2941689 0.76 CXCL8 (0.50) CXCL8ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL5022885 0.76 CXCL8 (0.50) CXCL8ALDH1A1LMNASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed