SCHEMBL16359763

SCHEMBL16359763

CC(C(=O)OCc1ccccc1)C(=O)OC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
SLC6A3 Q01959 2/20 0.43
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
FKBP1A P62942 3/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10799911 0.81 SLC6A3 (0.37) SLC6A3HPGD
SCHEMBL13311347 0.80 CYP1A2 (0.44) CYP1A2SLC6A3HPGDCYP3A4CYP2C9
SCHEMBL10807859 0.80 SLC6A3 (0.36) SLC6A3HPGD
SCHEMBL10575720 0.80 SLC6A3 (0.43) SLC6A3HPGDALDH1A1
SCHEMBL1506741 0.79 FKBP1A (0.42) CYP1A2SLC6A3SIGMAR1FKBP1AALDH1A1
SCHEMBL10800895 0.79 SLC6A3 (0.42) SLC6A3HPGDALDH1A1
SCHEMBL26642990 0.78 CYP1A2 (0.46) CYP1A2HPGDFKBP1AALDH1A1
SCHEMBL13311344 0.77 CYP1A2 (0.42) CYP1A2SLC6A3CYP3A4CYP2C9CYP2C19
SCHEMBL15879424 0.77 CYP1A2 (0.53) CYP1A2CYP3A4
SCHEMBL939536 0.77 ALDH1A1 (0.64) SLC6A3HPGDALDH1A1

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
WO-2010026973-A1 PHOTOSENSITIVE COMPOSITION, PATTERN-FORMING METHOD USING THE COMPOSITION AND RESIN USED IN THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-03-11 WO disclosed