SCHEMBL7798176

SCHEMBL7798176

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 3/20 0.43
TSHR P16473 5/20 0.41
HPGD P15428 1/20 0.41
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
EPHX1 P07099 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28649690 0.90 ALDH1A1 (0.52) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL28004337 0.85 ALDH1A1 (0.47) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL28557105 0.84 NAAA (0.50) ALDH1A1ATMHCAR2TSHRNAAA
SCHEMBL28549309 0.82 NAAA (0.53) ALDH1A1HCAR2TSHRNAAAEPHX1
SCHEMBL28553149 0.82 NAAA (0.53) ALDH1A1HCAR2TSHRNAAAEPHX1
SCHEMBL6530132 0.80 TSHR (0.34) TSHRACHE
SCHEMBL3114728 0.80 ALDH1A1 (0.50) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL5153162 0.79 CYP4F2 (0.41) ALDH1A1HCAR2TSHRLMNACYP1A2
Hydrogen Peroxide SCHEMBL27858511 0.79 ALDH1A1 (0.54) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL11513366 0.79 DGKA (0.42) ALDH1A1TSHRTDP1CYP1A2

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
EP-1130469-A1 A radiation-sensitive resist material and a process for device fabrication using the same LUCENT TECHNOLOGIES INC. (US) 2001-09-05 EP disclosed