SCHEMBL8699335

SCHEMBL8699335

O=C(NCCCc1ccc(O)cc1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ESRRG P62508 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TRPV1 Q8NER1 1/20 0.49
CA3 P07451 2/20 0.49
CA5A P35218 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
KDM4E B2RXH2 1/20 0.49
F13A1 P00488 1/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MLYCD O95822 1/20 0.48

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
SCHEMBL6433557 0.90 KDM4E (0.61) POLBALDH1A1SMN1; SMN2ESRRGMEN1
SCHEMBL4459001 0.85 POLB (0.53) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16935825 0.85 POLB (0.53) POLBALDH1A1SMN1; SMN2ESRRGMEN1
SCHEMBL5071492 0.85 POLB (0.53) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2549950 0.85 POLB (0.53) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6155598 0.85 POLB (0.71) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13701835 0.83 POLB (0.73) POLBALDH1A1ESRRGTRPV1KDM4E
SCHEMBL23346356 0.83 TRPV1 (0.50) POLBALDH1A1SMN1; SMN2ESRRGMEN1
SCHEMBL5072982 0.81 POLB (0.58) POLBSMN1; SMN2
SCHEMBL4475970 0.81 KDM4E (0.51) POLBALDH1A1SMN1; SMN2ESRRGKDM4E

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
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed