SCHEMBL9004094

SCHEMBL9004094

CCC(/C=C/c1ccccc1)=N\O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.69
ALOX15 P16050 1/20 0.58
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PLIN1 O60240 2/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 2/20 0.45
PLIN5 Q00G26 2/20 0.45
ABHD5 Q8WTS1 2/20 0.45

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
SCHEMBL9004187 0.85 TRPA1 (0.71) TRPA1ALOX15NPC1L3MBTL1TDP1
SCHEMBL13816398 0.85 TRPA1 (0.50) TRPA1ALOX15NPC1L3MBTL1TDP1
SCHEMBL1499368 0.81 TRPA1 (1.00) TRPA1NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL9004135 0.81 TRPA1 (0.70) TRPA1NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL4451132 0.81 TRPA1 (1.00) TRPA1NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL3675503 0.81 TRPA1 (0.65) TRPA1ALOX15NPC1LMNASMN1; SMN2
SCHEMBL4457739 0.81 TRPA1 (1.00) TRPA1NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL3675504 0.81 TRPA1 (0.65) TRPA1ALOX15NPC1LMNASMN1; SMN2
SCHEMBL1499367 0.81 TRPA1 (1.00) TRPA1NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL9004180 0.80 ALOX15 (0.53) TRPA1ALOX15NPC1L3MBTL1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed
CN-1100716-A Basic ethers and process for the preparation thereof EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1995-03-29 CN disclosed
EP-0619299-A2 1-(Phenyl)-3-[omega-(amino)-alkoxyimino]-alk-1-ene derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed