SCHEMBL10908321

SCHEMBL10908321

CCCCOC(=O)C(C)(C)OO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4919708 0.83 CYP4F2 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL126843 0.80 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6058509 0.80 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL23292981 0.80 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL17466216 0.80 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL23331953 0.80 ALDH1A1 (0.57) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27087988 0.80 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
Tert-Butyl Hydroperoxide SCHEMBL28067492 0.79 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL23334207 0.79 NAAA (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10012412 0.79 ATM (0.47) ALDH1A1ATMTSHRHPGDHCAR2

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-4617365-A Ethylene copolymer MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1986-10-14 US disclosed