SCHEMBL31107651

SCHEMBL31107651

Cc1ccc(OCC2(NC(=O)OC(C)(C)C)CCC2)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
PPIA P62937 2/20 0.35
THRB P10828 1/20 0.35
PDK2 Q15119 1/20 0.34
BTK Q06187 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
NR1H4 Q96RI1 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
ADRB3 P13945 1/20 0.33
DGAT1 O75907 1/20 0.32

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
SCHEMBL31107663 0.90 P2RX7 (0.37) P2RX7PPIATHRBPDK2BTK
SCHEMBL30343966 0.76 CA12 (0.57) PDK2ALDH1A1HPGDHSD17B10CA12
SCHEMBL25155264 0.76 CA12 (0.57) PDK2ALDH1A1HPGDHSD17B10CA12
SCHEMBL2741679 0.75 P2RX7 (0.40) P2RX7PPIAKDM4EALDH1A1HPGD
SCHEMBL31360270 0.75 PPIA (0.36) PPIAPDK2KIT
SCHEMBL25155384 0.75 PPIA (0.36) PPIAPDK2KIT
SCHEMBL13162913 0.75 CA12 (0.58) PDK2CA12CA1CA2CA9
SCHEMBL16491275 0.74 SMN1; SMN2 (0.42) PPIAKDM4EALDH1A1CA12CA1
SCHEMBL25155684 0.73 AAK1 (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL25155742 0.73 AAK1 (0.43) KDM4EALDH1A1HPGDHSD17B10

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-2024215817-A1 NOVEL 5-CYCLOPROYLQUINOLINE DERIVATIVES AS PLPRO INHIBITORS PFIZER INC. (US) 2024-10-17 WO disclosed