SCHEMBL6990156

SCHEMBL6990156

COc1ccc(CN2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.67
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
HRH3 Q9Y5N1 2/20 0.62
GAA P10253 1/20 0.59
KDM4E B2RXH2 1/20 0.57
SLC18A3 Q16572 2/20 0.56

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
SCHEMBL7353607 0.91 S1PR5 (0.58) S1PR5MEN1KMT2ASIGMAR1HRH3
SCHEMBL493434 0.87 MEN1 (0.61) MEN1KMT2ASIGMAR1KDM4ESLC18A3
SCHEMBL7841889 0.86 SIGMAR1 (0.65) SIGMAR1HRH3GAA
SCHEMBL1160471 0.86 S1PR5 (0.64) S1PR5MEN1KMT2AHRH3
SCHEMBL15532870 0.85 S1PR5 (0.69) S1PR5SIGMAR1KDM4E
Hydrochloric Acid SCHEMBL1414107 0.85 SIGMAR1 (0.63) SIGMAR1HRH3GAA
SCHEMBL27475845 0.84 LTA4H (0.66) S1PR5HRH3
SCHEMBL6988354 0.83 KDM4E (0.74) MEN1KMT2AHRH3GAAKDM4E
SCHEMBL27549340 0.83 KDM4E (0.76) S1PR5MEN1KMT2AKDM4E
SCHEMBL13236630 0.83 S1PR5 (0.66) S1PR5HRH3GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108129438-A A kind of compound of the chroman of benzene containing 2- parent nucleus and preparation method thereof 中国海洋大学 2018-06-08 CN disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed