SCHEMBL7286265

SCHEMBL7286265

CCCCc1cc(C(=O)O)ncc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.70
GABRD O14764 3/20 0.70
GABRA1 P14867 3/20 0.70
GABRB1 P18505 3/20 0.70
GABRG2 P18507 3/20 0.70
GABRB3 P28472 3/20 0.70
GABRA5 P31644 3/20 0.70
GABRA3 P34903 3/20 0.70
GABRA2 P47869 3/20 0.70
GABRB2 P47870 3/20 0.70
GABRA4 P48169 3/20 0.70
GABRE P78334 3/20 0.70
GABRA6 Q16445 3/20 0.70
GABRG1 Q8N1C3 3/20 0.70
GABRG3 Q99928 3/20 0.70
GABRQ Q9UN88 3/20 0.70
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL19857498 0.84 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3625268 0.81 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3623065 0.79 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7279224 0.79 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4633468 0.79 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3628755 0.77 KDM4E (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3627890 0.77 TSHR (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3630642 0.77 KDM4E (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11844383 0.76 TSHR (0.49) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL11838519 0.76 KDM4E (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904675-A Phamacologically active 5-carboxy-2-(5-tetrazolyl) pyridines ZYMA SA (CH) 1990-02-27 US disclosed
EP-0278908-A2 Heterocyclic compounds Zyma SA (CH) 1988-08-17 EP disclosed