SCHEMBL8308734

SCHEMBL8308734

CC1(C)C=C(C(=O)O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.39
TP53 P04637 2/20 0.39
CA12 O43570 1/20 0.39
PTPRC P08575 1/20 0.38

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
SCHEMBL8794716 0.85 MAPT (0.38) AKR1B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27328716 0.84 CA1 (0.38) AKR1B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27316930 0.84 PRSS1 (0.40) AKR1B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8315687 0.83 AKR1B1 (0.41) AKR1B1ALDH1A1MEN1KMT2APOLB
SCHEMBL8311414 0.83 AKR1B1 (0.39) AKR1B1ALDH1A1MEN1KMT2APOLB
SCHEMBL8795162 0.82 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL6270429 0.82 AKR1B1 (0.40) AKR1B1ALDH1A1MEN1KMT2APOLB
SCHEMBL8794948 0.82 ALDH1A1 (0.40) AKR1B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8796400 0.82 ALDH1A1 (0.38) AKR1B1ALDH1A1POLBTDP1CYP3A4
SCHEMBL8794145 0.81 TP53 (0.38) AKR1B1ALDH1A1KMT2AMAPTCA9

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
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed
EP-0541807-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-12-17 EP disclosed
US-5412117-A Potassium channel activators, antiasmatics, antiepileptics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-02 US disclosed
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed