SCHEMBL11314799

SCHEMBL11314799

CC(=O)NNC(=O)CCc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AGTR1 P30556 1/20 0.47
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.44
NR1I2 O75469 1/20 0.44
CYP2C9 P11712 1/20 0.44
MIF P14174 1/20 0.44
TYR P14679 1/20 0.44
ALOX15 P16050 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.43
ALOX5 P09917 1/20 0.43
OR51E2 Q9H255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4600026 0.94 GAA (0.54) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL20393436 0.84 GAA (0.68) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8340607 0.83 GAA (0.71) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL14448733 0.82 ALOX15 (0.48) GAAALDH1A1LMNAHTTKMT2A
SCHEMBL11702598 0.82 ALDH1A1 (0.47) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL30337786 0.82 ALDH1A1 (0.47) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL19427462 0.81 ERCC1 (0.51) GAAALDH1A1LMNAHTTKMT2A
SCHEMBL9677227 0.81 KMT2A (0.59) GAAKMT2AHSD17B10MAPTHPGD
SCHEMBL7933974 0.80 GAA (0.48) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL924084 0.80 KMT2A (0.58) GAALMNASMN1; SMN2KMT2AHSD17B10

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 2 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