SCHEMBL7042604

SCHEMBL7042604

O=C(Cc1cccc(O)c1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
TSHR P16473 1/20 0.49
CTBP2 P56545 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.41
OPRK1 P41145 1/20 0.41
UCHL1 P09936 1/20 0.40
USP5 P45974 1/20 0.40
USP4 Q13107 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL4911331 0.85 CRHBP (0.69) CRHBPCRHR2TSHRESR1ESR2
SCHEMBL11627976 0.84 CRHBP (0.52) CRHBPCRHR2TSHRCTBP2ALDH1A1
SCHEMBL11375689 0.83 ESR1 (0.58) CRHBPCRHR2TSHRESR1ESR2
SCHEMBL16273908 0.80 TSHR (0.67) TSHRCTBP2OPRK1
SCHEMBL56760 0.78 ALDH1A1 (0.73) CTBP2ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL21114396 0.77 CTBP2 (0.54) CTBP2ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL11460504 0.75 KLK7 (0.64) CRHBPCRHR2TSHRALDH1A1L3MBTL1
SCHEMBL7525118 0.75 CRHBP (0.56) CRHBPCRHR2TSHRESR1ESR2
SCHEMBL30435086 0.74 HSP90AB1 (0.67) TSHRCTBP2ALDH1A1MAPK1KMT2A
SCHEMBL979023 0.74 HSP90AB1 (0.67) TSHRCTBP2ALDH1A1MAPK1KMT2A

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-2003011298-A1 ANTIBACTERIAL OXAZINONES AND METHODS FOR THEIR USE AND SYNTHESIS CHIROLOGIX PHARMACEUTICALS INC. (CA) 2003-02-13 WO disclosed