SCHEMBL22620539

SCHEMBL22620539

Fc1ccc(Cc2ccc(P)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ TAAR1 Q96RJ0 3/20 0.43
▸ AGXT P21549 2/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ DAO P14920 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL16561361 0.86 IDO1 (0.58) IDO1LOXL2TAAR1AGXTDAO
SCHEMBL1468357 0.86 IDO1 (0.58) IDO1LOXL2TAAR1AGXTDAO
Hydrochloric Acid SCHEMBL7941845 0.83 IDO1 (0.55) IDO1LOXL2TAAR1AGXTDAO
SCHEMBL671340 0.83 — —
SCHEMBL14924312 0.83 — —
Water SCHEMBL28143699 0.80 — —
Hydrochloric Acid SCHEMBL27878358 0.80 — —
SCHEMBL27616600 0.80 — —
SCHEMBL19993270 0.78 MAOB (0.56) IDO1LOXL2TAAR1AGXTCYP3A4
Hydrochloric Acid SCHEMBL28194028 0.77 CA1 (0.40) IDO1LOXL2TAAR1AGXTCHRM2

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-3481200-B1 PROCESSES FOR THE PREPARATION OF 4-ALKOXY-3-(ACYL OR ALKYL)OXYPICOLINAMIDES DOW AGROSCIENCES LLC (US) 2020-11-04 — — EP disclosed
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