SCHEMBL11557039

SCHEMBL11557039

[O]c1c(Cl)cc2c(-c3ccccc3F)noc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ GPBAR1 Q8TDU6 4/20 0.40
▸ HTR7 P34969 1/20 0.38
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GABRG1 Q8N1C3 1/20 0.36
▸ GABRG3 Q99928 1/20 0.36
▸ GABRQ Q9UN88 1/20 0.36
▸ EPAS1 Q99814 1/20 0.35

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
SCHEMBL11557665 0.86 PTGS1 (0.41) PTGS1GPBAR1HTR7GABRPGABRD
SCHEMBL10660755 0.83 GPBAR1 (0.40) PTGS1GPBAR1HTR7EPAS1NPC1
SCHEMBL10659627 0.80 PTGS1 (0.41) PTGS1GPBAR1HTR7NPC1RAB9A
SCHEMBL11558673 0.80 PTGS1 (0.45) PTGS1GPBAR1HTR7GABRPGABRD
SCHEMBL11559072 0.79 PTGS1 (0.44) PTGS1GPBAR1HTR7GABRPGABRD
SCHEMBL11560907 0.78 PTGS1 (0.43) PTGS1GPBAR1HTR7GABRPGABRD
SCHEMBL10664107 0.77 STK17B (0.40) PTGS1GPBAR1NPC1RAB9ASMN1; SMN2
SCHEMBL10731910 0.76 GPBAR1 (0.36) PTGS1GPBAR1HTR7NPC1RAB9A
SCHEMBL10728658 0.76 PLAU (0.36) PTGS1GPBAR1HTR7APEX1
SCHEMBL10657153 0.76 HIF1A (0.42) PTGS1GPBAR1PKMKMT2AALDH1A1

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
EP-0002666-A1 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 — — EP disclosed
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