SCHEMBL11555657

SCHEMBL11555657

CCN1c2cc(C(F)(F)F)ccc2OC(CC(=O)O)C1CN1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.38
▸ FFAR4 Q5NUL3 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RORC P51449 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TRPV1 Q8NER1 3/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL11556325 0.86 TSHR (0.42) ALDH1A1MEN1KMT2A
SCHEMBL11557137 0.85 ALOX15 (0.46) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL11561701 0.85 MCL1 (0.36) ALDH1A1
SCHEMBL11564389 0.83 AKR1B1 (0.36) ALDH1A1KMT2A
SCHEMBL11558455 0.80 RIPK1 (0.37) RORC
SCHEMBL29456205 0.62 NOTUM (0.50) ALDH1A1MEN1KMT2A
SCHEMBL3782479 0.62 NOTUM (0.50) ALDH1A1MEN1KMT2A
SCHEMBL537789 0.62 POLB (0.53) ALDH1A1RORCMEN1KMT2A
SCHEMBL4971621 0.61 KMO (0.42) ALDH1A1RORCMEN1KMT2APTGDR2
SCHEMBL13330275 0.61 CYP11B1 (0.50) MEN1KMT2ATRPV1

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-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 — — US disclosed
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