SCHEMBL14458100

SCHEMBL14458100

COc1cc(OC(C)=O)nc(C(C)=O)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
MAOB P27338 2/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
PDE4D Q08499 1/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALOX5 P09917 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL14458094 0.91 MAOB (0.46) MAOBHPGDLMNAMEN1KMT2A
SCHEMBL5583599 0.91 LMNA (0.52) PTPN1HPGDLMNAMEN1KMT2A
SCHEMBL14458101 0.84 HPGD (0.48) MAOBHPGDLMNAMEN1KMT2A
SCHEMBL14284231 0.83 MEN1 (0.48) HPGDLMNAMEN1KMT2ANPC1
SCHEMBL5583574 0.83 SRD5A1 (0.47) HPGDLMNAMEN1KMT2ANPC1
SCHEMBL5583626 0.81 HPGD (0.56) HPGDLMNAMEN1KMT2ANPC1
SCHEMBL14458099 0.80 KCNA3 (0.48) PTPN1MAOBHPGDLMNAATM
SCHEMBL27578426 0.78 NPC1 (0.51) PTPN1HPGDATMMEN1KMT2A
SCHEMBL6200588 0.77 PTPN1 (0.64) PTPN1LMNAATMMEN1KMT2A
SCHEMBL20616566 0.75 SMN1; SMN2 (0.49) MAOBHPGDATMMEN1KMT2A

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-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 US disclosed