SCHEMBL899648

SCHEMBL899648

CCCCCc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 2/20 0.49
GPR35 Q9HC97 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
CTSB P07858 1/20 0.48
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
KCNH2 Q12809 2/20 0.46
ERN1 O75460 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX5 P09917 1/20 0.45
MAPT P10636 1/20 0.45
TYR P14679 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL899647 1.00 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2TP53TSHR
SCHEMBL8398671 0.98 TDP1 (0.49) ALDH1A1TDP1SMN1; SMN2TP53TSHR
SCHEMBL28026694 0.98 TDP1 (0.49) ALDH1A1TDP1SMN1; SMN2TP53TSHR
SCHEMBL27556368 0.95 ALDH1A1 (0.51) ALDH1A1TDP1SMN1; SMN2TP53TSHR
SCHEMBL27463698 0.89 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TP53TSHRGPR35
Formaldehyde SCHEMBL27590299 0.86 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TP53TSHRGPR35
SCHEMBL22271648 0.84 ALDH1A1 (0.52) ALDH1A1TDP1TSHRKCNH2MAPT
SCHEMBL4231830 0.83 ALDH1A1 (0.58) ALDH1A1TDP1SMN1; SMN2TP53TSHR
SCHEMBL6549530 0.83 TDP1 (0.50) ALDH1A1TDP1TSHRGAATHRB
SCHEMBL18688890 0.83 TYR (0.57) ALDH1A1TDP1SMN1; SMN2TP53TSHR

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-20120083577-A1 Poly(Ethylene Oxide) Functionalization SEEO, INC (US) 2012-04-05 US claimed
US-20120083577-A1 Poly(Ethylene Oxide) Functionalization SEEO, INC (US) 2012-04-05 US disclosed