SCHEMBL20833579

SCHEMBL20833579

C[C@H](NP(=O)(Oc1ccc(C(F)(F)F)cc1Br)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.40
▸ BTN3A1 O00481 1/20 0.39
▸ MRGPRX4 Q96LA9 4/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL20833581 0.90 MRGPRX4 (0.49) MRGPRX4LRRK2
SCHEMBL22066298 0.90 TACR1 (0.42) TACR1BTN3A1MRGPRX4LRRK2KCNQ3
SCHEMBL18973553 0.89 BTN3A1 (0.48) TACR1BTN3A1MRGPRX4PPARGPPARD
SCHEMBL20833582 0.85 BTN3A1 (0.43) BTN3A1MRGPRX4PPARGHTT
SCHEMBL22065046 0.85 BTN3A1 (0.39) BTN3A1MRGPRX4HTT
SCHEMBL22066299 0.83 BTN3A1 (0.39) TACR1BTN3A1MRGPRX4HTT
SCHEMBL22066301 0.83 MRGPRX4 (0.43) TACR1BTN3A1MRGPRX4LRRK2HTT
SCHEMBL22065039 0.82 BTN3A1 (0.51) BTN3A1MRGPRX4
SCHEMBL24793362 0.82 BTN3A1 (0.41) BTN3A1MRGPRX4MGLLHTT
SCHEMBL24793363 0.82 BTN3A1 (0.43) BTN3A1MRGPRX4HTT

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
WO-2019053476-A1 FLOXURIDINE SYNTHESIS NuCana plc (GB) 2019-03-21 — — WO disclosed
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