SCHEMBL9861871

SCHEMBL9861871

Nc1ccccc1C(=O)Oc1cc(OC(=O)c2ccccc2N)cc(OC(=O)c2ccccc2N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.60
ALDH1A1 P00352 9/20 0.60
CFTR P13569 1/20 0.60
KDM4E B2RXH2 5/20 0.59
HPGD P15428 5/20 0.59
GLA P06280 2/20 0.59
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TSHR P16473 3/20 0.50
MAPT P10636 5/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 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
SCHEMBL9861954 0.92 ALDH1A1 (0.56) HSD17B10ALDH1A1CFTRKDM4EHPGD
SCHEMBL9861291 0.90 HSD17B10 (0.71) HSD17B10ALDH1A1CFTRKDM4EHPGD
SCHEMBL444509 0.88 HSD17B10 (0.64) HSD17B10ALDH1A1CFTRKDM4EHPGD
Methyl Alcohol SCHEMBL28862398 0.85 HSD17B10 (0.65) HSD17B10ALDH1A1CFTRKDM4EHPGD
Ethylene SCHEMBL27559872 0.85 HSD17B10 (0.60) HSD17B10ALDH1A1CFTRKDM4EHPGD
SCHEMBL6430896 0.85 ALDH1A1 (0.65) HSD17B10ALDH1A1CFTRKDM4EHPGD
SCHEMBL3502987 0.84 KMT2A (0.60) HSD17B10ALDH1A1CFTRKDM4EHPGD
SCHEMBL17744895 0.84 SMN1; SMN2 (0.54) HSD17B10ALDH1A1CFTRKDM4EHPGD
SCHEMBL28917895 0.84 ALDH1A1 (0.49) HSD17B10ALDH1A1CFTRKDM4EHPGD
SCHEMBL28030331 0.83 ALDH1A1 (0.59) HSD17B10ALDH1A1CFTRKDM4EHPGD

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-0462060-A2 Curable composition CIBA-GEIGY AG (CH) 1991-12-18 EP disclosed