SCHEMBL7348559

SCHEMBL7348559

O=c1cc(O)c(=O)[nH]c2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 1/20 0.52
PARP1 P09874 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
USP2 O75604 1/20 0.44
KDM4E B2RXH2 6/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
XBP1 P17861 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8582766 0.74 ALOX15 (0.47) SMN1; SMN2ALOX15PARP1GABRA1GABRB2
SCHEMBL8127178 0.73 ALDH1A1 (0.46) SMN1; SMN2ALOX15PARP1GABRA1GABRB2
SCHEMBL9140017 0.73 GABRA1 (0.49) SMN1; SMN2ALOX15PARP1GABRA1GABRB2
SCHEMBL3527851 0.73 GABRA1 (0.60) SMN1; SMN2ALOX15PARP1GABRA1GABRB2
SCHEMBL8123080 0.72 ALDH1A1 (0.45) SMN1; SMN2ALOX15PARP1GABRA1GABRB2
SCHEMBL10425619 0.71 PARP1 (0.49) SMN1; SMN2ALOX15PARP1USP2KDM4E
SCHEMBL7352306 0.70 KDM4E (0.36) KDM4EMAPTPOLB
SCHEMBL8580379 0.70 DAO (0.33) KDM4EMAPTPOLB
SCHEMBL9454809 0.69 GABRA1 (0.45) SMN1; SMN2ALOX15PARP1GABRA1GABRB2
SCHEMBL8129824 0.69 MAPT (0.50) SMN1; SMN2ALOX15PARP1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708168-A FOR TREATING OR PREVENTING NEURONAL LOSS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1998-01-13 US claimed
WO-1998005337-A1 USE OF GABA AND NMDA RECEPTOR LIGANDS FOR THE TREATMENT OF MIGRAINE HEADACHE COCENSYS, INC. (US) 1998-02-12 WO disclosed
US-5708168-A FOR TREATING OR PREVENTING NEURONAL LOSS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1998-01-13 US disclosed
WO-1996015112-A1 AZEPINE SYNTHESIS VIA A DIELS-ALDER REACTION ACEA PHARMACEUTICALS, INC. (US) 1996-05-23 WO disclosed
US-5476933-A Condensation, ring expansion STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-12-19 US disclosed