SCHEMBL16638155

SCHEMBL16638155

CCC(C)C(=O)OCCCCCCCCCCCCOC(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.45
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4D Q08499 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL17953183 0.95 STS (0.41) STSALDH1A1LMNACYP1A2TSHR
SCHEMBL17409234 0.93 STS (0.45) STSALDH1A1MAPTNPC1RAB9A
SCHEMBL17409208 0.92 STS (0.44) STSALDH1A1MAPTNPC1RAB9A
SCHEMBL17409191 0.88 STS (0.49) STSALDH1A1MAPTNPC1RAB9A
SCHEMBL17409273 0.86 STS (0.48) STSALDH1A1MAPTNPC1RAB9A
SCHEMBL17358332 0.85 CXCR2 (0.36) STSCA1CA2
SCHEMBL16638156 0.84 STS (0.44) STSALDH1A1MAPTNPC1RAB9A
SCHEMBL13160583 0.83 STS (0.42) STSALDH1A1MAPTNPC1RAB9A
SCHEMBL2742225 0.83 POLB (0.43) STSALDH1A1MAPTLMNACYP1A2
SCHEMBL16638150 0.82 STS (0.44) STSALDH1A1MAPTNPC1RAB9A

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-9005870-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-04-14 US disclosed