SCHEMBL8965818

SCHEMBL8965818

CC(C)c1nc(/C=C/c2ccccc2)c(CC(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.43
PTGDR Q13258 1/20 0.39
P2RX3 P56373 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL9076607 0.88 ALDH1A1 (0.40) P2RX3KDM4EPOLBCYP1A2ALDH1A1
SCHEMBL9076604 0.88 ALDH1A1 (0.40) P2RX3KDM4EPOLBCYP1A2ALDH1A1
SCHEMBL8967121 0.82 PTGDR2 (0.47) PTGDR2P2RX3KDM4EPOLBCYP1A2
SCHEMBL8967115 0.82 PTGDR2 (0.47) PTGDR2P2RX3KDM4EPOLBCYP1A2
SCHEMBL8965614 0.80 PTGDR2 (0.42) PTGDR2PTGDRP2RX3KDM4EPOLB
SCHEMBL5514564 0.75 PTGDR2 (0.72) PTGDR2PTGDRKDM4EPOLBCYP1A2
SCHEMBL8965645 0.74 P2RX3 (0.38) P2RX3KDM4EPOLBCYP1A2MEN1
SCHEMBL8966362 0.72 ALDH1A1 (0.36) P2RX3KDM4EPOLBCYP1A2MEN1
SCHEMBL8966397 0.72 PPARA (0.43) PTGDR2P2RX3KDM4EPOLBCYP1A2
SCHEMBL9076373 0.71 ALDH1A1 (0.38) P2RX3KDM4EPOLBCYP1A2ALDH1A1

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