SCHEMBL11075976

SCHEMBL11075976

CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.59
ALDH1A1 P00352 5/20 0.53
POLB P06746 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GALR2 O43603 1/20 0.53
MITF O75030 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 3/20 0.49
ESR1 P03372 1/20 0.47
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL10877588 0.87 GPR35 (0.55) GPR35ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL6010756 0.85 ALDH1A1 (0.51) GPR35ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL2312711 0.85 MAPT (0.54) GPR35ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL5050015 0.85 ALDH1A1 (0.53) GPR35ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL11067071 0.84 GPR35 (0.62) GPR35ALDH1A1POLBHPGDMAPT
SCHEMBL27809236 0.83 GPR35 (0.61) GPR35ALDH1A1POLBLMNAHPGD
SCHEMBL27516180 0.83 ALDH1A1 (0.49) GPR35ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL7021997 0.83 GPR35 (0.60) GPR35ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL11074065 0.81 GPR35 (0.62) GPR35ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL16529634 0.80 ALDH1A1 (0.55) ALDH1A1POLBLMNASMN1; SMN2GALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed