SCHEMBL8967115

SCHEMBL8967115

Cc1nc(/C=C/c2ccccc2)c(CC(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
P2RX3 P56373 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
GRM4 Q14833 2/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PAM P19021 1/20 0.39

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
SCHEMBL8967121 1.00 PTGDR2 (0.47) PTGDR2P2RX3KMT2AMEN1MAPT
SCHEMBL9074423 0.87 GAA (0.43) P2RX3KMT2AMAPTLMNAGRM4
SCHEMBL9074428 0.87 GAA (0.43) P2RX3KMT2AMAPTLMNAGRM4
SCHEMBL8965614 0.83 PTGDR2 (0.42) PTGDR2P2RX3KMT2AMEN1MAPT
SCHEMBL8965818 0.82 PTGDR2 (0.43) PTGDR2P2RX3KMT2AMEN1MAPT
SCHEMBL8966397 0.75 PPARA (0.43) PTGDR2P2RX3KMT2AMEN1MAPT
SCHEMBL5544242 0.73 PTGDR2 (0.76) PTGDR2KMT2AMEN1MAPTLMNA
SCHEMBL9075427 0.72 ALDH1A1 (0.41) P2RX3KMT2AMAPTGRM4POLB
SCHEMBL9075422 0.72 ALDH1A1 (0.41) P2RX3KMT2AMAPTGRM4POLB
SCHEMBL4484508 0.71 NPC1 (0.44) PTGDR2P2RX3KMT2AMEN1MAPT

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
EP-0509857-B1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
EP-0509857-A1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1992-10-21 EP disclosed