SCHEMBL8041378

SCHEMBL8041378

CCC(C)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
GPR35 Q9HC97 2/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 4/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
RORC P51449 1/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
ERN1 O75460 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 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
SCHEMBL1647499 0.84 ALDH1A1 (0.56) SMN1; SMN2GPR35TSHRALDH1A1TP53
SCHEMBL51384 0.84 ALDH1A1 (0.56) SMN1; SMN2GPR35TSHRALDH1A1TP53
SCHEMBL27369469 0.84 MAPT (0.51) SMN1; SMN2GPR35TSHRALDH1A1TP53
SCHEMBL10438569 0.83 TDP1 (0.51) TSHRALDH1A1GAATHRBTDP1
SCHEMBL7465528 0.83 ALDH1A1 (0.55) SMN1; SMN2GPR35TSHRALDH1A1TP53
SCHEMBL11776456 0.83 TDP1 (0.57) SMN1; SMN2GPR35TSHRALDH1A1HPGD
SCHEMBL18867007 0.82 ALDH1A1 (0.51) TSHRALDH1A1GAAMAPTTHRB
SCHEMBL4369639 0.81 GAA (0.50) SMN1; SMN2GPR35TSHRALDH1A1TP53
SCHEMBL4369630 0.81 GAA (0.50) SMN1; SMN2GPR35TSHRALDH1A1TP53
Dinitrophenylene SCHEMBL27369470 0.81 TSHR (0.62) TSHRALDH1A1HPGDMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991733-A1 MIXTURE OF SUBSTANCES CONTAINING COMPOUNDS WITH VINYL GROUPS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
EP-0931064-A1 STABILISED MONOMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
EP-0906257-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
EP-0885180-A1 STABILIZED MONOMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1998058038-A1 MIXTURE OF SUBSTANCES CONTAINING COMPOUNDS WITH VINYL GROUPS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 WO disclosed
WO-1998013346-A1 STABILISED MONOMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1998-04-02 WO disclosed
WO-1997046504-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
WO-1997032833-A1 STABILIZED MONOMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed