Glutarate

Glutarate

SCHEMBL9860599

CC(CCC(=O)O)C(=O)O.O=C(O)CCCC(=O)O

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.86
SLC22A6 Q4U2R8 1/20 0.52
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
GABRR1 P24046 2/20 0.50
LTA4H P09960 1/20 0.48

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
Adipic Acid SCHEMBL542059 0.95 CYP1A2 (0.86) CYP1A2SLC22A6GABRPGABRDGABRA1
SCHEMBL791764 0.93 CYP1A2 (1.00) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL7321898 0.93 CYP1A2 (1.00) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL28750 0.93 CYP1A2 (1.00) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL10882526 0.90 CYP1A2 (0.95) CYP1A2GABRPGABRDGABRA1GABRB1
Ammonia Solution, Strong SCHEMBL1023860 0.90 CYP1A2 (0.95) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL6737627 0.90 CYP1A2 (0.95) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL10883495 0.90 CYP1A2 (0.95) CYP1A2GABRPGABRDGABRA1GABRB1
Methane SCHEMBL28098974 0.90 CYP1A2 (0.95) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL18317937 0.88 CYP1A2 (0.73) CYP1A2SLC22A6GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951140-B1 PROCESS FOR THE PREPARATION OF 1-CHLORO-3,3,3-TRIFLUOROPROPENE USING A PHASE TRANSFER CATALYST HONEYWELL INT INC (US) 2018-01-10 EP claimed
EP-2424862-B1 PROCESS FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS BASF SE (DE) 2014-10-08 EP claimed
EP-0234463-B1 PHOTOPOLYMERISABLE MOULDING COMPOSITIONS CONTAINING METALLIC WIRE INSERTS BASF Aktiengesellschaft (DE) 1991-03-13 EP disclosed
EP-0234463-A1 Photopolymerisable moulding compositions containing metallic wire inserts BASF Aktiengesellschaft (DE) 1987-09-02 EP disclosed
EP-0023634-B1 PROCESS FOR PRODUCING SHAPED ARTICLES FROM UNSATURATED POLYESTER RESINS BASF Aktiengesellschaft (DE) 1985-05-02 EP disclosed
EP-0079461-B1 PROCESS FOR PREPARING ACETIC ANHYDRIDE AND EVENTUALLY ACETIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-05 EP disclosed
EP-0023634-A1 Process for producing shaped articles from unsaturated polyester resins BASF Aktiengesellschaft (DE) 1981-02-11 EP disclosed