SCHEMBL10656513

SCHEMBL10656513

O=C(O)C1OC2(CCNCC2)OC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.35
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL7092674 0.77 SUCNR1 (0.38) TSHRSUCNR1KDM4EALDH1A1
SCHEMBL1768267 0.67
SCHEMBL8217572 0.67
SCHEMBL7092791 0.67 SUCNR1 (0.32) SUCNR1
SCHEMBL23797246 0.67 HRH3 (0.45) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL22616173 0.67 HRH3 (0.45) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL1709272 0.67 HRH3 (0.45) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL20856976 0.64 POLB (0.32) SUCNR1
SCHEMBL20856964 0.64 POLB (0.32) SUCNR1
SCHEMBL10652438 0.64 KDM4E (0.31) KDM4EKMT2A

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-0219331-A3 TARTRATE-BASED COMPOUND USEFUL AS STABILIZERS FOR POLYMERS ICI AMERICAS INC. (US) 1988-10-05 EP disclosed
US-4690963-A POLYALKYL-1,4-DIOXA-8-AZASPIRO(4.5)DECANE-2,3-DICARBOXYLIC ACIDS, ESTERS OR AMIDES; POLYPROPYLENE FILMS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
EP-0219331-A2 Tartrate-based compound useful as stabilizers for polymers ICI AMERICAS INC. (US) 1987-04-22 EP disclosed