SCHEMBL30744840

SCHEMBL30744840

O=C(O)c1cc(OC2COC2)c2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
LMNA P02545 2/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4A P27815 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM5 P41594 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE4C Q08493 1/20 0.37
PSMD14 O00487 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL30744828 0.91 PDE4D (0.44) PDE4ANR1H4GRM5PDE4BPDE4D
SCHEMBL23195592 0.88 LMNA (0.44) KMOLMNAMETAP2METAP1HDAC6
SCHEMBL29620722 0.88 LMNA (0.44) KMOLMNAMETAP2METAP1HDAC6
SCHEMBL16517662 0.77 KMT2A (0.52) LMNAMETAP2METAP1HDAC6ALDH1A1
SCHEMBL23905749 0.76 MAP4K4 (0.45) KMOLMNAMETAP2METAP1HDAC6
SCHEMBL23195925 0.75 HTT (0.51) LMNAALDH1A1PDE4DPSMD14KCNH2
SCHEMBL23905397 0.74 HPGDS (0.51) LMNAPOLBPDE4DPSMD14KCNH2
SCHEMBL18031358 0.74 MEN1 (0.48) LMNAMETAP2METAP1HDAC6PDE4A
SCHEMBL30744842 0.73 KDM4E (0.52) KMOALDH1A1NPSR1PDE4ANR1H4
SCHEMBL24986029 0.73 KDM4E (0.58) LMNAMETAP2METAP1HDAC6ALDH1A1

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed