SCHEMBL21021862

SCHEMBL21021862

Cc1ccc(NC(=O)c2cc(C)ccc2O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.73
▸ F2 P00734 2/20 0.73
▸ F10 P00742 2/20 0.73
▸ PLAT P00750 2/20 0.73
▸ NPC1 O15118 3/20 0.70
▸ RAB9A P51151 3/20 0.70
▸ LMNA P02545 1/20 0.70
▸ TP53 P04637 1/20 0.70
▸ NFKB1 P19838 1/20 0.70
▸ HTT P42858 1/20 0.70
▸ NFKB2 Q00653 1/20 0.70
▸ RELA Q04206 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ MEN1 O00255 2/20 0.67
▸ POLB P06746 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ P2RX1 P51575 4/20 0.66
▸ TMPRSS4 Q9NRS4 2/20 0.66
▸ PNLIP P16233 1/20 0.59

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
SCHEMBL14363184 0.93 PLAU (0.69) PLAUF2F10PLATNPC1
SCHEMBL19040075 0.90 PLAU (0.66) PLAUF2F10PLATNPC1
SCHEMBL24460276 0.90 P2RX1 (0.77) PLAUF2F10PLATNPC1
SCHEMBL6285639 0.90 TMPRSS4 (0.67) PLAUF2F10PLATNPC1
SCHEMBL14363179 0.90 PLAU (0.65) PLAUF2F10PLATNPC1
SCHEMBL30844207 0.89 PLAU (0.72) PLAUF2F10PLATNPC1
SCHEMBL14363291 0.89 PLAU (0.72) PLAUF2F10PLATNPC1
SCHEMBL14363181 0.88 NPC1 (0.66) PLAUF2F10PLATNPC1
SCHEMBL13812666 0.87 P2RX1 (0.82) NPC1RAB9ALMNATP53NFKB1
SCHEMBL17774840 0.87 NPC1 (0.62) PLAUF2F10PLATNPC1

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
WO-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 — — WO disclosed
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 — — EP disclosed
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