SCHEMBL18474166

SCHEMBL18474166

COc1cc2ccn(C(=O)OC(C)(C)C)c2cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.55
SRD5A2 P31213 2/20 0.55
TLR9 Q9NR96 4/20 0.49
TLR7 Q9NYK1 2/20 0.49
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLK1 P53350 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TFPI2 P48307 1/20 0.41
PKM P14618 1/20 0.41
AGTR2 P50052 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
SCHEMBL17360612 0.87 SRD5A1 (0.41) SRD5A1SRD5A2TLR9TLR7HPGD
SCHEMBL3912610 0.87 TRPV3 (0.41) SRD5A1SRD5A2TLR9TLR7NPC1
SCHEMBL15984664 0.86 ELANE (0.42) SRD5A1SRD5A2TLR9TLR7
SCHEMBL7163724 0.83 SRD5A1 (0.51) SRD5A1SRD5A2HPGDNPC1RAB9A
SCHEMBL29264495 0.81 SRD5A1 (0.49) SRD5A1SRD5A2NPC1RAB9ASMN1; SMN2
SCHEMBL29821188 0.81 SRD5A2 (0.47) SRD5A2NPC1RAB9AMEN1KMT2A
SCHEMBL1179548 0.81 SRD5A2 (0.53) SRD5A2HPGDNPC1RAB9AHDAC1
SCHEMBL3898829 0.81 SRD5A2 (0.47) SRD5A2NPC1RAB9AMEN1KMT2A
SCHEMBL17417658 0.80 SRD5A1 (0.50) SRD5A1SRD5A2TLR9TLR7HPGD
SCHEMBL1777494 0.80 TLR9 (0.49) SRD5A1SRD5A2TLR9TLR7HPGD

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
WO-2017023894-A1 MTHFD2 INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-02-09 WO disclosed