SCHEMBL11601720

SCHEMBL11601720

N#Cc1ccc(SCCCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
MAOB P27338 7/20 0.54
MAOA P21397 6/20 0.54
MMP2 P08253 1/20 0.50
HTT P42858 1/20 0.45
CYP19A1 P11511 5/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL3840252 0.90 MAOB (0.57) ALDH1A1MAOBMAOAMMP2HTT
SCHEMBL10050946 0.81 MAOB (0.56) ALDH1A1MAOBMAOAFFAR1
SCHEMBL11606889 0.79 HTT (0.59) ALDH1A1MAOBMAOAMMP2HTT
SCHEMBL416482 0.79 ALDH1A1 (0.72) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL1015539 0.79 MAOB (0.56) ALDH1A1MAOBMAOACYP19A1SMN1; SMN2
SCHEMBL1932191 0.78 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL414617 0.77 ALDH1A1 (0.70) ALDH1A1HTTL3MBTL1NPC1RAB9A
SCHEMBL414504 0.77 ALDH1A1 (0.70) ALDH1A1HTTSMN1; SMN2L3MBTL1NPC1
SCHEMBL417732 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL5209754 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A

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
US-4086240-A 1-Thiazolyl-5-phenoxy and phenylthioalkanoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 US disclosed
US-4053480-A 1-THIADIAZOLYL-5-PHENOXY- AND PHENYLTHIOALKANOYLOXY IMIDAZOLIDINONES VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed