SCHEMBL11311798

SCHEMBL11311798

CC(C)C(C=Cc1ccccc1Cl)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ MAOB P27338 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GSR P00390 1/20 0.45
▸ GRIK1 P39086 1/20 0.45
▸ GRIK2 Q13002 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ NOS3 P29474 3/20 0.41

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
SCHEMBL11311800 1.00 MAPT (0.45) MAPTMAOBNPC1RAB9AHDAC1
SCHEMBL11311793 1.00 MAPT (0.45) MAPTMAOBNPC1RAB9AHDAC1
SCHEMBL11325307 0.81 NOS2 (0.47) MAPTMAOBNPC1RAB9AHDAC1
SCHEMBL11325298 0.81 NOS2 (0.47) MAPTMAOBNPC1RAB9AHDAC1
SCHEMBL11325302 0.81 NOS2 (0.47) MAPTMAOBNPC1RAB9AHDAC1
SCHEMBL11316941 0.81 NFE2L2 (0.47) MAPTMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL11316938 0.81 NFE2L2 (0.47) MAPTMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL11316940 0.81 NFE2L2 (0.47) MAPTMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL11325321 0.78 SMPD2 (0.56) MAPTNPC1RAB9AHDAC8HDAC6
SCHEMBL11390669 0.78 ALDH1A1 (0.39) MAPTMAOBLMNACYP1A2MEN1

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-4267359-A Novel carboxylic acid esters ZOECON CORPORATION (US) 1981-05-12 — — US disclosed
US-4229368-A Esters and thiolesters of unsaturated acids ZOECON CORPORATION (US) 1980-10-21 — — 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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