SCHEMBL11173174

SCHEMBL11173174

O=C(Nc1cccc(F)c1)C1OC1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.49
▸ F13A1 P00488 3/20 0.47
▸ TGM2 P21980 3/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL11171430 0.84 CAPN1 (0.51) F13A1TGM2KMT2AMEN1POLB
SCHEMBL11194253 0.81 HCAR2 (0.55) RAB9AKMT2AMEN1MAPTMAPK1
SCHEMBL1034658 0.79 MGLL (0.74) MGLLLRRK2RAB9ANPC1HPGD
SCHEMBL19597031 0.76 PTPRB (0.46) F13A1TGM2RAB9ANPC1HPGD
SCHEMBL16276103 0.76 PTPRB (0.46) F13A1TGM2RAB9ANPC1HPGD
SCHEMBL11173177 0.76 HCAR2 (0.40) MGLLRAB9AALDH1A1MAPTMAPK1
SCHEMBL11174768 0.76 ALDH1A1 (0.47) RAB9ANPC1HPGDKMT2AALDH1A1
SCHEMBL6816419 0.74 FABP7 (0.54) RAB9ANPC1KMT2AALDH1A1TDP1
SCHEMBL2386510 0.74 FABP7 (0.54) RAB9ANPC1KMT2AALDH1A1TDP1
SCHEMBL2386506 0.74 FABP7 (0.54) RAB9ANPC1KMT2AALDH1A1TDP1

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-4387238-A ANTIINFLAMMATORY, HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANTISPASMODIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-06-07 — — US disclosed
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