SCHEMBL363987

SCHEMBL363987

Cc1ccc(CCC=NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
CTBP2 P56545 1/20 0.39
IDO1 P14902 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4860736 0.83 LPL (0.45) NPC1RAB9AGPR84L3MBTL1ALDH1A1
SCHEMBL7991942 0.79 TAAR1 (0.45) TAAR1GPR52IDO1FFAR1
SCHEMBL22776005 0.79 HTR3E (0.46) CYP1A2TAAR1NPC1RAB9AIGF1R
SCHEMBL28708879 0.79 CALM1 (0.50) TAAR1SMN1; SMN2GPR52IGF1RALOX15
SCHEMBL4860728 0.79 IDO1 (0.40) NPC1RAB9ASMN1; SMN2IDO1L3MBTL1
SCHEMBL4860721 0.79 IDO1 (0.40) NPC1RAB9ASMN1; SMN2IDO1L3MBTL1
SCHEMBL28533247 0.78 IDO1 (0.45) CYP1A2CYP2A6TAAR1NPC1RAB9A
SCHEMBL368054 0.78 TDP1 (0.46) CYP2A6TAAR1SMN1; SMN2GPR52ALOX15
SCHEMBL5663286 0.78 TDP1 (0.46) CYP2A6TAAR1SMN1; SMN2GPR52ALOX15
SCHEMBL31591064 0.78 IDO1 (0.45) CYP1A2CYP2A6TAAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed