SCHEMBL10901360

SCHEMBL10901360

CCOC(=O)c1cc2c(nc1C)C(CC(=O)CCCO)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 5/20 0.38
ACHE P22303 4/20 0.38
MAPK1 P28482 1/20 0.38
OPRK1 P41145 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10898107 0.92 KDM4E (0.44) KDM4ENPC1CASP3RAB9AATM
SCHEMBL10899377 0.85 KDM4E (0.44) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7911315 0.82 KDM4E (0.50) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7902804 0.79 KDM4E (0.49) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7913313 0.79 KDM4E (0.50) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7916696 0.79 KDM4E (0.50) KDM4ENPC1CASP3RAB9AATM
SCHEMBL10899358 0.78 RAB9A (0.46) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7910219 0.78 KDM4E (0.49) KDM4ENPC1CASP3RAB9AATM
SCHEMBL10898887 0.77 HSD17B10 (0.44) KDM4ENPC1CASP3RAB9AATM
SCHEMBL10899221 0.77 KDM4E (0.45) KDM4ENPC1CASP3RAB9AATM

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
US-4576949-A Use of 5,6,7,8-tetrahydroquinolines and 5,6-dihydropyrindines as leukotriene and lipoxygenase inhibitors and the novel 3-substituted compounds therein THE UPJOHN COMPANY (US) 1986-03-18 US claimed
EP-0161867-A2 5,6,7,8-Tetrahydroquinolines and 5,6-dihydropyrindines and their therapeutic use THE UPJOHN COMPANY (US) 1985-11-21 EP claimed
US-4576949-A Use of 5,6,7,8-tetrahydroquinolines and 5,6-dihydropyrindines as leukotriene and lipoxygenase inhibitors and the novel 3-substituted compounds therein THE UPJOHN COMPANY (US) 1986-03-18 US disclosed
EP-0161867-A2 5,6,7,8-Tetrahydroquinolines and 5,6-dihydropyrindines and their therapeutic use THE UPJOHN COMPANY (US) 1985-11-21 EP disclosed