SCHEMBL19933192

SCHEMBL19933192

CCc1cc(CN2CCCC[C@H]2C(=O)O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
CD274 Q9NZQ7 15/20 0.50
PDCD1 Q15116 7/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL20294470 0.86 CD274 (0.55) SMN1; SMN2TSHRCD274PDCD1KDM4E
SCHEMBL20294468 0.86 CD274 (0.55) SMN1; SMN2TSHRCD274PDCD1KDM4E
SCHEMBL3938487 0.83 CYP1A2 (0.51) SMN1; SMN2CD274PDCD1MEN1KMT2A
SCHEMBL3938490 0.83 CYP1A2 (0.51) SMN1; SMN2CD274PDCD1MEN1KMT2A
SCHEMBL3712217 0.79 ALDH1A1 (0.58) SMN1; SMN2TSHRCD274PDCD1KDM4E
SCHEMBL3712215 0.79 ALDH1A1 (0.58) SMN1; SMN2TSHRCD274PDCD1KDM4E
SCHEMBL18710326 0.79 CD274 (0.49) SMN1; SMN2CD274PDCD1
SCHEMBL3713849 0.77 NPBWR1 (0.54) SMN1; SMN2TSHRMAPK1RECQLCD274
SCHEMBL3713847 0.77 NPBWR1 (0.54) SMN1; SMN2TSHRMAPK1RECQLCD274
SCHEMBL3713831 0.77 SMN1; SMN2 (0.63) SMN1; SMN2CD274PDCD1MEN1KMT2A

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-2018045142-A1 IMMUNE CHECKPOINT INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS, INC. (US) 2018-03-08 WO disclosed