SCHEMBL4575829

SCHEMBL4575829

CCCCCCCCCCCCOC(=O)c1ccc(O)cc1.CCCCCCCCCCCCOc1ccc(O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.79
ESR1 P03372 2/20 0.79
LMNA P02545 2/20 0.79
CYP1A2 P05177 2/20 0.79
CYP2C19 P33261 2/20 0.79
CYP2D6 P10635 1/20 0.79
MAPK1 P28482 1/20 0.79
NR1H2 P55055 1/20 0.79
RNASEL Q05823 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
NR5A1 Q13285 1/20 0.71
ALDH1A1 P00352 2/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 1/20 0.64
RAB9A P51151 1/20 0.64
CHRM1 P11229 1/20 0.64
SLC6A2 P23975 1/20 0.64
KDR P35968 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
TP53 P04637 1/20 0.63

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
SCHEMBL8076659 0.94 NPC1 (0.71) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL11345412 0.94 NPC1 (0.71) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL9016851 0.94 NPC1 (0.71) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL5709874 0.94 NPC1 (0.71) TSHRESR1LMNACYP1A2CYP2C19
Ammonia Solution, Strong SCHEMBL28289284 0.92 NPC1 (0.69) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL1041301 0.92 ESR1 (0.87) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL1263037 0.92 ESR1 (0.87) TSHRESR1LMNACYP1A2CYP2C19
Hexyl 4-Hydroxybenzoate SCHEMBL374758 0.92 ESR1 (0.87) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL19834333 0.92 ESR1 (0.87) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL1041302 0.92 ESR1 (0.87) TSHRESR1LMNACYP1A2CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706464-A4 INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD FUJIFILM CORP (JP) 2008-01-16 EP disclosed
EP-1706464-A1 INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD FUJI PHOTO FILM CO., LTD. (JP) 2006-10-04 EP disclosed
WO-2005061635-A1 INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD FUJI PHOTO FILM CO., LTD. (JP) 2005-07-07 WO disclosed