SCHEMBL9367604

SCHEMBL9367604

COC(=O)c1c(C)[nH]c2c(OCc3ccccc3)cc3c(c12)C(COC(C)=O)CN3C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.35
TLR9 Q9NR96 4/20 0.33
TLR7 Q9NYK1 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP2C9 P11712 1/20 0.32
PTGER1 P34995 1/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
GHSR Q92847 1/20 0.32
HTR6 P50406 1/20 0.32
ELANE P08246 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL7463404 0.91 YAP1 (0.33) YAP1TLR9TLR7HDAC1HDAC6
SCHEMBL7466465 0.85 TACR1 (0.32) YAP1TLR9TLR7L3MBTL1PTGER1
SCHEMBL7470036 0.82 YAP1 (0.34) YAP1TLR9TLR7HDAC1HDAC6
SCHEMBL7470902 0.81 HDAC1 (0.34) YAP1TLR9TLR7HDAC1HDAC6
SCHEMBL6995739 0.81 SRD5A2 (0.40) YAP1TLR9TLR7CYP2C9GHSR
SCHEMBL9615143 0.77 PRKCA (0.35) YAP1TLR9TLR7MEN1MAPT
SCHEMBL5865450 0.77 TLR9 (0.37) YAP1TLR9TLR7GHSR
SCHEMBL7460836 0.76 TACR1 (0.34) YAP1TLR9TLR7MEN1MAPT
SCHEMBL7474754 0.76 TACR1 (0.33) YAP1TLR9TLR7MAPK1MEN1
SCHEMBL6997323 0.75 GHSR (0.38) YAP1TLR9TLR7NPC1RAB9A

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
JP-6116270-A None JP disclosed
JP-H06116270-A TETRAHYDROPYRROLOINDOLE DERIVATIVE, ITS PRODUCTION AND INTERMEDIATE THEREFOR KYORIN PHARMACEUT CO LTD 1994-04-26 JP disclosed