SCHEMBL8965922

SCHEMBL8965922

CO/C=C(/C(=O)O)c1scnc1/C=C/c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 1/20 0.37
GRM4 Q14833 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
P2RX3 P56373 1/20 0.36
MAPT P10636 3/20 0.36
MAOB P27338 3/20 0.36
HSPD1 P10809 1/20 0.36
TNFRSF1A P19438 1/20 0.36
HSPE1 P61604 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL8965675 0.90 SMN1; SMN2 (0.38) TRPA1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8965687 0.90 SMN1; SMN2 (0.38) TRPA1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL9143238 0.90 SMN1; SMN2 (0.38) TRPA1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8966128 0.80 GRM4 (0.41) TRPA1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8965709 0.79 ALDH1A1 (0.38) TRPA1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8966100 0.79 ALDH1A1 (0.38) TRPA1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8966362 0.77 ALDH1A1 (0.36) TRPA1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL9075986 0.76 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EHPGDGLA
SCHEMBL9691643 0.74 RAB9A (0.38) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5010231 0.71 TRPA1 (0.46) TRPA1ALDH1A1GLAMEN1KMT2A

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 4 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 claimed
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 claimed
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