SCHEMBL9737102

SCHEMBL9737102

COC(=O)c1ccc2c(c1)C(Oc1cc[nH]c(=O)c1)=C(CO)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.37
ALOX5 P09917 1/20 0.36
PDPK1 O15530 1/20 0.36
CNR1 P21554 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
MCL1 Q07820 1/20 0.33
RECQL P46063 1/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDK2 Q15119 1/20 0.31

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
SCHEMBL9733057 0.85 PDPK1 (0.38) CNR2ALOX5PDPK1CNR1SMN1; SMN2
SCHEMBL9738641 0.84 NSD2 (0.33) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL9736448 0.81 ALOX5 (0.35) CNR2ALOX5PDPK1CNR1SMN1; SMN2
SCHEMBL9740084 0.80 CNR2 (0.36) CNR2ALOX5PDPK1CNR1SMN1; SMN2
SCHEMBL9735336 0.76 ALOX5 (0.36) CNR2ALOX5PDPK1CNR1SMN1; SMN2
SCHEMBL9738703 0.71 CNR2 (0.38) CNR2ALOX5CNR1SMN1; SMN2RAB9A
SCHEMBL7853544 0.70 CA1 (0.50) SMN1; SMN2RAB9AMAPTALDH1A1KDM4E
SCHEMBL9738536 0.68 ALDH1A1 (0.39) CNR2SMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL9732959 0.67 NSD2 (0.31)
SCHEMBL9735584 0.67 ALOX5 (0.34) ALOX5SMN1; SMN2RAB9AMAPTALDH1A1

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-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed