SCHEMBL9065710

SCHEMBL9065710

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.38
SLC7A5 Q01650 1/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
TSHR P16473 2/20 0.32
CPA1 P15085 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14394856 0.79 TSHR (0.33) CTSSCTSKALDH1A1TSHRCPA1
SCHEMBL8363342 0.77 TSHR (0.32) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL283644 0.77 ALDH1A1 (0.44) SLC7A5ALDH1A1ADRA1ATSHRCYP2D6
SCHEMBL751650 0.76 RNPEP (0.41) RNPEPSLC7A5CTSLCTSBCTSS
SCHEMBL11342234 0.76 CHRM1 (0.39) CTSSCTSKALDH1A1ADRA1ASLC1A3
Ammonia Solution, Strong SCHEMBL5978210 0.75 ALDH1A1 (0.42) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL28704882 0.75 ALDH1A1 (0.42) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL13388492 0.74 GABRP (0.45) SLC1A3SLC1A2TSHRMEN1KMT2A
SCHEMBL27665317 0.73 SLC7A5 (0.43) RNPEPSLC7A5CTSLCTSBCTSS
SCHEMBL8359174 0.72 CA2 (0.45) CTSSCTSKSLC1A3SLC1A2

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-0296275-B2 Carboxylic acid mixture and process for producing the same IDEMITSU PETROCHEMICAL CO (JP) 1996-10-09 EP disclosed
EP-0296275-A1 Carboxylic acid mixture and process for producing the same IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-12-28 EP disclosed