SCHEMBL4774975

SCHEMBL4774975

COc1ccc(CC(CO)NC(=O)CCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.46
CNR2 P34972 1/20 0.46
FPR2 P25090 1/20 0.45
ACACB O00763 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PTGS2 P35354 2/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL16766937 1.00 LDHA (0.50) LDHAALDH1A1HTTCNR2FPR2
SCHEMBL29197625 1.00 LDHA (0.50) LDHAALDH1A1HTTCNR2FPR2
SCHEMBL8246771 0.84 ACACB (0.50) ALDH1A1ACACBSMN1; SMN2
SCHEMBL14370510 0.84 ACACB (0.58) LDHAALDH1A1HTTACACBSMN1; SMN2
SCHEMBL4356408 0.84 ACACB (0.58) LDHAALDH1A1HTTACACBSMN1; SMN2
SCHEMBL18262755 0.84 LDHA (0.58) LDHAALDH1A1HTTFPR2ACACB
SCHEMBL11756036 0.83 CNR2 (0.63) LDHAALDH1A1HTTCNR2SMN1; SMN2
SCHEMBL11756029 0.83 CNR2 (0.63) LDHAALDH1A1HTTCNR2SMN1; SMN2
SCHEMBL5806232 0.82 ACACB (0.60) LDHAALDH1A1FPR2ACACB
SCHEMBL5320238 0.82 ACACB (0.60) LDHAALDH1A1FPR2ACACB

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
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 CN disclosed
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed