SCHEMBL10010078

SCHEMBL10010078

CCCOC(=O)C(C)=C(CC(C)(C)C)C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10010077 1.00 RAB9A (0.38) RAB9ATSHRALDH1A1HCAR2GAA
SCHEMBL10008119 0.89 ALDH1A1 (0.47) TSHRALDH1A1HCAR2SMN1; SMN2LMNA
SCHEMBL10008115 0.89 ALDH1A1 (0.47) TSHRALDH1A1HCAR2SMN1; SMN2LMNA
SCHEMBL10008606 0.88 RAB9A (0.41) RAB9ATSHRALDH1A1HCAR2GAA
SCHEMBL10008602 0.88 RAB9A (0.41) RAB9ATSHRALDH1A1HCAR2GAA
SCHEMBL10011356 0.86 TSHR (0.53) TSHRALDH1A1HCAR2LMNA
SCHEMBL10011360 0.86 TSHR (0.53) TSHRALDH1A1HCAR2LMNA
SCHEMBL10010421 0.85 GLO1 (0.39) TSHRALDH1A1GAASMN1; SMN2THRB
SCHEMBL10010418 0.85 GLO1 (0.39) TSHRALDH1A1GAASMN1; SMN2THRB
SCHEMBL10009680 0.83 RAB9A (0.39) RAB9ATSHRALDH1A1HCAR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172551-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-07-05 US disclosed