SCHEMBL8907152

SCHEMBL8907152

CCC1CCC(NC(=O)Cc2c(C)cc(C)cc2C)(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
PYGL P06737 8/20 0.34
FFAR4 Q5NUL3 3/20 0.34
SHMT1 P34896 2/20 0.33
SHMT2 P34897 2/20 0.33
CYP2C9 P11712 1/20 0.33
CXCR5 P32302 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL7961943 0.90 LPAR1 (0.34) P2RX7PYGLFFAR4KDM4EMAPT
SCHEMBL7958016 0.88 KMT2A (0.37) PYGLFFAR4SHMT1SHMT2KDM4E
SCHEMBL8907784 0.88 P2RX7 (0.34) P2RX7FFAR4GAANPSR1MAPT
SCHEMBL8907090 0.87 GPR132 (0.37) P2RX7PYGLSHMT1SHMT2CYP2C9
SCHEMBL8906515 0.84 P2RX7 (0.41) P2RX7FFAR4POLB
SCHEMBL8906535 0.84 PYGL (0.34) P2RX7PYGLSHMT1SHMT2CYP2C9
SCHEMBL8907295 0.84 S1PR5 (0.35) P2RX7PYGLSHMT1SHMT2CYP2C9
SCHEMBL8905527 0.82 DRD2 (0.42) PYGLCYP2C9CXCR5MAPT
SCHEMBL8905958 0.81 LPAR1 (0.35) P2RX7PYGLSHMT1SHMT2CYP2C9
SCHEMBL7964600 0.81 LPAR1 (0.33) P2RX7FFAR4KDM4ECNR2

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-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed