SCHEMBL1018978

SCHEMBL1018978

Cc1c(C(F)(F)F)cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.49
ALDH1A1 P00352 7/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
TTR P02766 2/20 0.40
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 3/20 0.39
AR P10275 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 2/20 0.39
PMP22 Q01453 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
GLA P06280 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL24118399 0.85 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CYP3A4ALOX15
SCHEMBL11033044 0.81 ALDH1A1 (0.49) ALDH1A1TSHRTDP1CYP3A4ALOX15
SCHEMBL2054425 0.81 GPR35 (0.50) GPR35ALDH1A1TSHRTDP1TTR
SCHEMBL10986975 0.81 TSHR (0.53) GPR35ALDH1A1TSHRTDP1CYP3A4
SCHEMBL2224314 0.79 GPR35 (0.59) GPR35ALDH1A1TSHRTDP1TTR
SCHEMBL30785537 0.79 GPR35 (0.59) GPR35ALDH1A1TSHRTDP1TTR
SCHEMBL19914360 0.78 GPR35 (0.53) GPR35ALDH1A1TDP1TTRALOX15
SCHEMBL28728496 0.78 GPR35 (0.57) GPR35ALDH1A1TDP1TTRALOX15
SCHEMBL7788794 0.78 GPR35 (0.57) GPR35ALDH1A1TSHRTDP1TTR
SCHEMBL29457573 0.78 GPR35 (0.57) GPR35ALDH1A1TDP1TTRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568685-B2 Separation of nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-29 US disclosed
US-20110011773-A1 Separation of Nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-01-20 US disclosed
EP-2225174-A2 SEPARATION OF NANOSTRUCTURES Massachusetts Institute of Technology (US) 2010-09-08 EP disclosed
WO-2009070240-A2 SEPARATION OF NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-04 WO disclosed