SCHEMBL8772553

SCHEMBL8772553

B.C=CCc1cc([N+](=O)[O-])ccc1OCC1(O)CN2CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
FDFT1 P37268 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CTSB P07858 1/20 0.32

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
Hydrochloric Acid SCHEMBL8772720 0.98 MEN1 (0.39) MEN1KMT2ANPBWR1MCHR1FDFT1
SCHEMBL8772588 0.83 PTGDR (0.39) MEN1KMT2AFDFT1ALDH1A1MAPT
SCHEMBL8422017 0.83 FDFT1 (0.39) MEN1KMT2AFDFT1ALDH1A1MAPT
SCHEMBL8423284 0.82 FDFT1 (0.41) FDFT1ALDH1A1KDM4EGABRA1GABRB2
Hydrochloric Acid SCHEMBL8421585 0.80 FDFT1 (0.41) KMT2AFDFT1MAPTKDM4EGABRA1
SCHEMBL8772595 0.79 FDFT1 (0.38) MEN1KMT2AFDFT1ALDH1A1MAPT
SCHEMBL8772704 0.79 FDFT1 (0.37) MEN1FDFT1PTGDRPTGDR2
SCHEMBL8772725 0.79 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8772603 0.78 FDFT1 (0.45) MEN1KMT2AFDFT1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8772570 0.78 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTKDM4E

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-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed