SCHEMBL9747679

SCHEMBL9747679

CC(C)(C)c1cc(O)cc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
GALR3 O60755 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.36
GPR35 Q9HC97 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 1/20 0.35
NR1H4 Q96RI1 2/20 0.35

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
SCHEMBL8768833 0.84 PKM (0.44) KMT2AHTTMEN1GALR3SMN1; SMN2
SCHEMBL11310440 0.82 PKM (0.50) KMT2ASMN1; SMN2PKMALDH1A1TSHR
SCHEMBL9651424 0.81 PKM (0.47) KMT2ASMN1; SMN2L3MBTL1PKMALDH1A1
SCHEMBL10387706 0.81 PKM (0.47) KMT2ASMN1; SMN2L3MBTL1PKMALDH1A1
Ethane SCHEMBL28133096 0.77 PKM (0.46) PKMALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL28591568 0.76 PKM (0.49) KMT2AHTTMEN1GALR3SMN1; SMN2
SCHEMBL39336 0.75 GLRA3 (0.57) KMT2AHTTMEN1GALR3SMN1; SMN2
SCHEMBL557154 0.75 GLRA3 (0.41) KMT2AHTTMEN1GALR3SMN1; SMN2
Methane SCHEMBL27831379 0.75 PKM (0.44) PKMALDH1A1TSHRTDP1CYP1A2
SCHEMBL27627165 0.74 GLRA3 (0.46) HTTSMN1; SMN2PKMALDH1A1TSHR

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-5110723-A Assay for microorganisms; no surfactant necessary EASTMAN KODAK COMPANY (US) 1992-05-05 US disclosed
US-5037762-A Determination Of Enzymes, Metabolites Or Living Cells With Quinone Derivatives EASTMAN KODAK COMPANY (US) 1991-08-06 US disclosed
US-4853186-A Water-compatible reducible compounds and their use in analytical compositions and methods EASTMAN KODAK COMPANY (US) 1989-08-01 US disclosed
EP-0247848-A2 Water-compatible reducible compounds and their use in analytical compositions and methods EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1987-12-02 EP disclosed