SCHEMBL21985753

SCHEMBL21985753

CCC(CC)C[C@H](C)OC(=O)CNC(=O)c1nccc(OC)c1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.35
VEGFA P15692 3/20 0.34
FLT1 P17948 3/20 0.34
EGLN3 Q9H6Z9 3/20 0.34
CYP19A1 P11511 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
FTO Q9C0B1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21850395 0.91 P2RX7 (0.33) EGLN1CYP19A1
SCHEMBL25022213 0.91 CYP19A1 (0.40) EGLN1VEGFAFLT1EGLN3CYP19A1
SCHEMBL21986097 0.91 PPARA (0.36) EGLN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21850463 0.91 PPARA (0.36) EGLN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21850457 0.87 PPARA (0.40) EGLN1
SCHEMBL21850476 0.86 PPARA (0.34) EGLN1
SCHEMBL21850397 0.85 EGLN1 (0.40) EGLN1VEGFAFLT1EGLN3TAS1R3
SCHEMBL21850414 0.85 EGLN1 (0.36) EGLN1EGLN2FTO
SCHEMBL25021326 0.83 RAB9A (0.35) ALDH1A1HTTTAS1R3TAS1R1MEN1
SCHEMBL21985613 0.83 RAB9A (0.35) ALDH1A1HTTTAS1R3TAS1R1MEN1

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
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 EP disclosed