SCHEMBL9848754

SCHEMBL9848754

Cc1c(C)c(O)c(CCCC(=O)O)c(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 2/20 0.40
SLC22A6 Q4U2R8 2/20 0.40
TBXA2R P21731 1/20 0.40
IMPDH2 P12268 1/20 0.40
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL7328569 0.92 TSHR (0.46) HDAC11LMNASLC22A6TBXA2RHSD17B10
SCHEMBL10823022 0.80 IMPDH2 (0.49) IMPDH2IMPDH1
SCHEMBL28029522 0.73 AKR1B1 (0.42) HDAC11SLC22A6HSD17B10TSHRAKR1B1
SCHEMBL29311921 0.73 HPGD (0.45) MAPK1HSD17B10ALDH1A1FFAR1
SCHEMBL29311924 0.71 TYR (0.46) MAPK1SLC6A3LMNAHSD17B10ALDH1A1
SCHEMBL9235513 0.70 FASN (0.35) MAPK1ALDH1A1
SCHEMBL14030867 0.70 TYR (0.48) SLC6A3LMNAHSD17B10ALDH1A1ESR1
SCHEMBL29311970 0.70 NOS2 (0.32)
SCHEMBL12134619 0.70 TYR (0.48) SLC6A3LMNAHSD17B10ALDH1A1ESR1
SCHEMBL29311917 0.70 TYR (0.48) SLC6A3LMNAHSD17B10ALDH1A1ESR1

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
EP-0446809-A1 New process for the synthesis of 5-acyloxy and 5-alkoxy-2,3-dihydro-4,6,7-trimethyl-2-(RS)-benzofuranacetic acids BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1991-09-18 EP claimed
EP-0446809-A1 New process for the synthesis of 5-acyloxy and 5-alkoxy-2,3-dihydro-4,6,7-trimethyl-2-(RS)-benzofuranacetic acids BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1991-09-18 EP disclosed