SCHEMBL8304088

SCHEMBL8304088

CCOC(=O)CCCCCc1oc(-c2c[nH]c(C)n2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
TARBP2 Q15633 1/20 0.39
FAAH O00519 3/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC2A2 P11168 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALPL P05186 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7458704 0.87 RAB9A (0.46) HSD17B10TARBP2RAB9ATSHRLMNA
SCHEMBL8303845 0.85 RXRA (0.41) TSHRKDM4EMAPTPTGS2ALDH1A1
SCHEMBL7514117 0.85 SIRT2 (0.34) TARBP2SMN1; SMN2ALDH1A1
SCHEMBL4442084 0.85 SIRT2 (0.34) TARBP2SMN1; SMN2ALDH1A1
SCHEMBL4563793 0.84 SIRT2 (0.35) TARBP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8305905 0.83 RXRA (0.45) TSHRKDM4EMAPTALDH1A1HPGD
SCHEMBL4442406 0.83 SIRT2 (0.38) TARBP2LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL7457504 0.83 FAAH (0.43) HSD17B10TARBP2FAAHRAB9ATSHR
SCHEMBL8303347 0.82 NR4A2 (0.35) HSD17B10TARBP2LMNAKDM4EMEN1
SCHEMBL5208950 0.82 HSD17B10 (0.44) HSD17B10TARBP2FAAHRAB9ATSHR

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
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed