SCHEMBL6832060

SCHEMBL6832060

O=C(O)[C@H]1CC1c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.60
FFAR1 O14842 7/20 0.59
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HDAC4 P56524 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL13544388 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL4210867 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL3751420 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL7651885 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL805079 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL301295 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL3119991 0.89 SLC9A1 (0.50) SLC9A1FFAR1ALDH1A1HPGDLMNA
SCHEMBL28574668 0.83 FFAR1 (0.50) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL2835480 0.82 SLC9A1 (0.68) SLC9A1FFAR1ALDH1A1HPGDLMNA
SCHEMBL6130283 0.82 SLC9A1 (0.58) SLC9A1FFAR1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046922-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS Bristol-Myers Squibb Company (US) 2016-07-27 EP disclosed
WO-2015042243-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 WO disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed