SCHEMBL11313124

SCHEMBL11313124

CC(=O)Oc1ccc(C(=O)NN(C(=O)CCCCC(=O)NN)C(=O)c2ccc(OC(C)=O)cc2O)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GFER P55789 1/20 0.38
KLKB1 P03952 2/20 0.35
PLAU P00749 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLAT P00750 1/20 0.34
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
PDK2 Q15119 1/20 0.33
MAOB P27338 2/20 0.33
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL11327838 0.89 KLKB1 (0.43) ALDH1A1GFERKLKB1HPGDLMNA
SCHEMBL11691203 0.88 CA2 (0.39) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL11692443 0.86 ALDH1A1 (0.54) KDM4EALDH1A1GFERHPGDLMNA
SCHEMBL11322407 0.84 CNR2 (0.46) MAOB
SCHEMBL11695597 0.79 MAOB (0.43) MAOB
SCHEMBL6436974 0.79 KDM4E (0.39) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL11321424 0.78 NAAA (0.39) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL28261515 0.78 NAAA (0.39) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL11313121 0.77 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDPDK2
SCHEMBL11693841 0.75 EGFR (0.43) SMN1; SMN2PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4306930-A INCORPORATING A HYDRAZIDE OR DIHYDRAZIDE AND THEN VULCANIZING IN CONTACT WITH A METAL CIBA-GEIGY CORPORATION (US) 1981-12-22 US disclosed
US-4077948-A N-SALICYLIDENE-N*-SALICYLHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed
US-4012360-A Bis-salicyloyl-dicarboxylic acid dihydrazides as stabilizers for polyolefines CIBA-GEIGY CORPORATION (US) 1977-03-15 US disclosed