SCHEMBL11325307

SCHEMBL11325307

CCOC(=O)C(C=Cc1ccccc1Cl)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 4/20 0.47
▸ NOS3 P29474 3/20 0.47
▸ NOS1 P29475 3/20 0.47
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GSR P00390 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CASP1 P29466 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
SCHEMBL11325302 1.00 NOS2 (0.47) NOS2NOS3NOS1LMNASMN1; SMN2
SCHEMBL11325298 1.00 NOS2 (0.47) NOS2NOS3NOS1LMNASMN1; SMN2
SCHEMBL11407204 0.83 RAB9A (0.48) SMN1; SMN2L3MBTL1MAPTRAB9AKDM4E
SCHEMBL11407210 0.83 RAB9A (0.48) SMN1; SMN2L3MBTL1MAPTRAB9AKDM4E
SCHEMBL11407212 0.83 RAB9A (0.48) SMN1; SMN2L3MBTL1MAPTRAB9AKDM4E
SCHEMBL11311798 0.81 MAPT (0.45) NOS2NOS3NOS1LMNASMN1; SMN2
SCHEMBL11311800 0.81 MAPT (0.45) NOS2NOS3NOS1LMNASMN1; SMN2
SCHEMBL11311793 0.81 MAPT (0.45) NOS2NOS3NOS1LMNASMN1; SMN2
SCHEMBL11311392 0.80 MEN1 (0.49) LMNASMN1; SMN2HPGDL3MBTL1MAPT
SCHEMBL11311388 0.80 MEN1 (0.49) LMNASMN1; SMN2HPGDL3MBTL1MAPT

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-4267359-A Novel carboxylic acid esters ZOECON CORPORATION (US) 1981-05-12 — — US disclosed
US-4204071-A 4-Aryl-3-butenoic acids and lower alkyl esters ZOECON CORPORATION (US) 1980-05-20 — — US disclosed
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