SCHEMBL8039717

SCHEMBL8039717

COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 7/20 0.53
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPK10 P53779 2/20 0.51
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
CNR2 P34972 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PNLIP P16233 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL8027743 0.89 ALDH1A1 (0.56) KMT2AALDH1A1KDM4ECNR2SMN1; SMN2
SCHEMBL8037875 0.89 ALDH1A1 (0.54) KMT2ATSHRTDP1ALDH1A1HSD17B10
SCHEMBL6340707 0.88 KMT2A (0.61) KMT2ATSHRALDH1A1HSD17B10KDM4E
SCHEMBL8044170 0.86 ALDH1A1 (0.55) KMT2ATSHRALDH1A1HSD17B10KDM4E
SCHEMBL6349020 0.84 ALDH1A1 (0.60) KMT2ATSHRALDH1A1HSD17B10KDM4E
SCHEMBL8037895 0.84 ALDH1A1 (0.64) KMT2ATSHRTDP1ALDH1A1HSD17B10
SCHEMBL8037864 0.83 SMN1; SMN2 (0.58) KMT2ATSHRTDP1ALDH1A1HSD17B10
SCHEMBL6337014 0.83 ALDH1A1 (0.66) KMT2ATSHRALDH1A1HSD17B10KDM4E
SCHEMBL8039718 0.82 ALDH1A1 (0.53) KMT2ATSHRALDH1A1HSD17B10KDM4E
SCHEMBL6337230 0.82 KMT2A (0.53) KMT2ATSHRALDH1A1HSD17B10KDM4E

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
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed