SCHEMBL13756151

SCHEMBL13756151

CCC(C)(C)C(=O)OCCOC(=O)c1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
TSHR P16473 4/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
ESR1 P03372 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDR P35968 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2742139 0.84 ESR1 (0.63) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL12126258 0.84 MAPT (0.49) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL10050672 0.83 PPARG (0.46) LOXL2LMNAALDH1A1TDP1RAB9A
SCHEMBL801373 0.82 LMNA (0.62) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL13921985 0.80 CYP4A11 (0.51) LOXL2TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL14827300 0.80 LMNA (0.51) TSHRLMNAESR1ALDH1A1CHRM1
SCHEMBL11913580 0.79 TSHR (0.42) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL13884042 0.78 ESR1 (0.65) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL117002 0.78 LMNA (0.57) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL27645375 0.77 TSHR (0.71) LOXL2TSHRLMNACYP1A2CYP2C19

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-7569328-B2 Resin composition and thermo/photosensitive composition FUJIFILM CORPORATION (JP) 2009-08-04 US disclosed
US-20080044763-A1 Resin composition and thermo/photosensitive composition FUJIFILM CORPORATION 2008-02-21 US disclosed