SCHEMBL8037895

SCHEMBL8037895

COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OCCOc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TSHR P16473 3/20 0.64
HSD17B10 Q99714 3/20 0.64
MAPK10 P53779 3/20 0.64
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.54
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49

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
SCHEMBL8037864 0.92 SMN1; SMN2 (0.58) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL6349020 0.91 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL6337014 0.90 ALDH1A1 (0.66) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL8038280 0.89 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL8041187 0.88 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL6340707 0.88 KMT2A (0.61) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL8044170 0.86 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10MAPK10KDM4E
Benzoic Acid SCHEMBL8041305 0.86 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL6337445 0.85 KMT2A (0.46) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL8039718 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10MAPK10KDM4E

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