SCHEMBL7316640

SCHEMBL7316640

COC(=O)c1cc(OC)c(OC)c(C(=O)CBr)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ ECE1 P42892 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 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
SCHEMBL7311341 0.82 POLB (0.44) KDM4EPOLBECE1ALDH1A1USP2
SCHEMBL16724446 0.77 POLB (0.45) KDM4EPOLBECE1ALDH1A1USP2
SCHEMBL22954292 0.71 CYP1A2 (0.38) KDM4EPOLBALDH1A1L3MBTL1MAPK1
SCHEMBL7316387 0.70 LMNA (0.47) KDM4EPOLBALDH1A1L3MBTL1MAPK1
SCHEMBL503143 0.70 MEN1 (0.58) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21044526 0.70 CYP4F2 (0.44) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL7318992 0.68 ECE1 (0.79) KDM4EECE1MEN1KMT2AALDH1A1
SCHEMBL733130 0.66 MAPT (0.46) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL2305425 0.66 MAPT (0.55) KDM4EKMT2AALDH1A1HSD17B10L3MBTL1
SCHEMBL23703451 0.66 PDCD1 (0.45) KDM4EALDH1A1HSD17B10HPGDTSHR

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-5891892-A Small molecule biaryl compounds as inhibitors of endothelin converting enzyme WARNER-LAMBERT COMPANY (US) 1999-04-06 — — US disclosed
Send feedback