SCHEMBL11575967

SCHEMBL11575967

CCCc1cc([N+](=O)[O-])cc(C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 3/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
GALR3 O60755 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 4/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7458592 0.84 ALDH1A1 (0.62) GPR35ALDH1A1HTTPOLBMEN1
SCHEMBL5080677 0.83 GPR35 (0.57) GPR35ALDH1A1HTTPOLBMEN1
SCHEMBL16744703 0.82 HTT (0.46) GPR35ALDH1A1HTTPOLBMEN1
SCHEMBL27979430 0.82 GPR35 (0.56) GPR35ALDH1A1HTTPOLBMEN1
SCHEMBL15298537 0.81 ALDH1A1 (0.59) GPR35ALDH1A1HTTPOLBMEN1
SCHEMBL13386182 0.81 GPR35 (0.59) GPR35ALDH1A1HTTPOLBMEN1
SCHEMBL14113093 0.80 ALDH1A1 (0.57) GPR35ALDH1A1HTTPOLBMEN1
SCHEMBL655655 0.80 GPR35 (0.77) GPR35ALDH1A1HTTMEN1KMT2A
SCHEMBL6981282 0.80 ERN1 (0.56) GPR35ALDH1A1HTTPOLBMEN1
SCHEMBL11216304 0.79 HTT (0.50) GPR35ALDH1A1HTTPOLBMEN1

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-4104269-A Methoxymethoxy protected intermediates for photographic dyes POLAROID CORPORATION (US) 1978-08-01 US disclosed
US-4035401-A Intermediates for photographic dyes POLAROID CORPORATION (US) 1977-07-12 US disclosed