SCHEMBL8965780

SCHEMBL8965780

CO/C=C(/C(=O)OC)c1sc(C(C)C)nc1/C=C/c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM4 Q14833 1/20 0.34
P2RX3 P56373 1/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 3/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
MAOB P27338 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
SCHEMBL8965791 1.00 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL8966362 0.91 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL9076373 0.90 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL9075507 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL9075502 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL8965811 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL8965819 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL9075300 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL9076743 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL8965645 0.80 P2RX3 (0.38) ALDH1A1SMN1; SMN2HPGDKDM4EGLA

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 8 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
US-5210093-A Fungicides ROUSSEL UCLAF (FR) 1993-05-11 US claimed
JP-5112545-A None JP disclosed
US-5508414-A FUNGICIDES ROUSSEL UCLAF (FR) 1996-04-16 US disclosed
US-5420340-A Chemical intermediates for fungicides ROUSSEL UCLAF (FR) 1995-05-30 US disclosed
US-5304653-A Fungicides ROUSSEL-UCLAF (FR) 1994-04-19 US disclosed
US-5210093-A Fungicides ROUSSEL UCLAF (FR) 1993-05-11 US disclosed
JP-H05112545-A NEW ALPHA-METHYLENE-5-THIAZOLACETIC ACID DERIVATIVE, ITS PREPARATION AND INTERMEDIATE THEREOF, ITS USE AS DISINFECTANT AND COMPOSITION CONTAINING THE SAME ROUSSEL UCLAF 1993-05-07 JP disclosed