SCHEMBL11620692

SCHEMBL11620692

O=C(O)C1=CC(C(=O)O)(C(=O)O)CC(C(=O)O)=C1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRR1 P24046 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ GABRA4 P48169 1/20 0.31
▸ GABRE P78334 1/20 0.31
▸ GABRA6 Q16445 1/20 0.31
▸ GABRG1 Q8N1C3 1/20 0.31
▸ GABRG3 Q99928 1/20 0.31
▸ GABRQ Q9UN88 1/20 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
SCHEMBL15167236 0.81 — —
SCHEMBL29066994 0.78 — —
SCHEMBL5022619 0.74 NPC1 (0.39) —
SCHEMBL17746892 0.67 GRM5 (0.32) —
SCHEMBL8210522 0.65 TSHR (0.37) TSHR
SCHEMBL8210519 0.65 — —
Ammonia Solution, Strong SCHEMBL9279783 0.64 — —
SCHEMBL1286825 0.63 TSHR (0.40) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL11651684 0.62 — —
SCHEMBL19344710 0.60 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4111869-A METHOD FOR THE POLYMERIZATION OF LACTAMS CESKOSLOVENSKA AKADEMIE VED (CS) 1978-09-05 — — US disclosed
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