SCHEMBL8044170

SCHEMBL8044170

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 2/20 0.55
MAPK10 P53779 2/20 0.55
KMT2A Q03164 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 5/20 0.49
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL8041216 0.90 HCAR2 (0.54) ALDH1A1KMT2ALMNAKDM4EHPGD
SCHEMBL8039718 0.89 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL8039717 0.86 KMT2A (0.56) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL8037895 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL6349020 0.86 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL6340707 0.86 KMT2A (0.61) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL6337014 0.85 ALDH1A1 (0.66) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL8037864 0.85 SMN1; SMN2 (0.58) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL8037875 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRMAPK10KMT2A
Benzoic Acid SCHEMBL8041305 0.82 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRMAPK10KMT2A

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