SCHEMBL8992905

SCHEMBL8992905

O=C(ON1CCCCC1)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
RAB9A P51151 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
GAA P10253 1/20 0.45
ESR1 P03372 2/20 0.43
ESR2 Q92731 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL28988328 0.92 ALDH1A1 (0.48) KMT2AMEN1RAB9ACYP2D6ALDH1A1
SCHEMBL5874597 0.84 LMNA (0.44) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL1249246 0.83 HPGD (0.53) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL28495717 0.83 HPGD (0.53) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL11197360 0.82 CA12 (0.44) KMT2AMEN1RAB9ACYP2D6ALDH1A1
SCHEMBL5893393 0.82 ATM (0.57) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL29098438 0.81 HPGD (0.52) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL2510973 0.81 KMT2A (0.50) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL28868005 0.81 HPGD (0.58) KMT2AMEN1CYP2D6ALDH1A1HPGD
SCHEMBL8993267 0.80 ALDH1A1 (0.53) KMT2AMEN1RAB9AALDH1A1HPGD

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
EP-0526486-B1 NON-LINEAR OPTICAL DEVICE SECR DEFENCE BRIT (GB) 1996-07-31 EP disclosed
US-5352388-A Crystalline second harmonic generator material comprising salt of organic nitrogenous base and optically active enantiomer of chiral carboxylic acid mounted in optical path of laser THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDON OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1994-10-04 US disclosed