SCHEMBL8924201

SCHEMBL8924201

CCCCCC[C@H](C)Oc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PDK1 Q15118 1/20 0.47
PLA2G4B P0C869 1/20 0.47
VCAM1 P19320 1/20 0.46
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
MGLL Q99685 3/20 0.44
AR P10275 1/20 0.44
PELP1 Q8IZL8 1/20 0.44
HCAR3 P49019 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7164836 0.92 ERN1 (0.46) ALDH1A1KMT2AHPGDNPSR1THRA
SCHEMBL7168057 0.92 ERN1 (0.46) ALDH1A1KMT2AHPGDNPSR1THRA
SCHEMBL7168020 0.92 ERN1 (0.46) ALDH1A1KMT2AHPGDNPSR1THRA
SCHEMBL8923647 0.92 ERN1 (0.46) ALDH1A1KMT2AHPGDNPSR1THRA
SCHEMBL8183362 0.90 ALDH1A1 (0.52) ALDH1A1KMT2ATHRATHRBPDK1
SCHEMBL8183369 0.90 ALDH1A1 (0.52) ALDH1A1KMT2ATHRATHRBPDK1
SCHEMBL7692420 0.89 PLA2G4B (0.59) THRATHRBPDK1PLA2G4BESR1
SCHEMBL8924063 0.89 PLA2G4B (0.59) THRATHRBPDK1PLA2G4BESR1
SCHEMBL7692418 0.89 PLA2G4B (0.59) THRATHRBPDK1PLA2G4BESR1
SCHEMBL8923686 0.88 PDK1 (0.51) ALDH1A1KMT2AHPGDTHRATHRB

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-5658493-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-08-19 US disclosed
US-5637256-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-06-10 US disclosed
US-5543078-A A CHIRAL NONRACEMIC COMPOUND UNIVERSITY RESEARCH CORPORATION (US) 1996-08-06 US disclosed
WO-1992020058-A2 FERROELECTRIC LIQUID CRYSTALS FOR NONLINEAR OPTICS APPLICATIONS UNIVERSITY RESEARCH CORPORATION (US) 1992-11-12 WO disclosed