SCHEMBL15032840

SCHEMBL15032840

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL16230596 0.83 CA1 (0.38) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL1691839 0.81 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL6897321 0.81 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL11022237 0.81 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL7879260 0.78 CHRM1 (0.46) ALDH1A1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5718119 0.73 ALDH1A1 (0.44) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL8308905 0.72 ALDH1A1 (0.61) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL28638484 0.72 ALDH1A1 (0.61) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL18574181 0.72 SLC1A2 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7659016 0.72 ALDH1A1 (0.44) ALDH1A1TSHRLCKPPARDZDHHC20

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-8840996-B2 Processes for making polyolefin nanocomposites EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-23 US disclosed
US-20130158180-A1 PROCESSES FOR MAKING POLYOLEFIN NANOCOMPOSITES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-06-20 US disclosed