SCHEMBL11675433

SCHEMBL11675433

CCC(=O)OOCCNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GBA1 P04062 1/20 0.42
GAA P10253 3/20 0.41
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
AGTR1 P30556 1/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL11662001 0.83 MAPT (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10627202 0.76 THRB (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12088281 0.74 TOP2A (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5950512 0.73 KDM4E (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10993430 0.72 GAA (0.50) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL12088285 0.72 MAPT (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9348357 0.72 GAA (0.46) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11212433 0.72 MAPT (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1066414 0.71 KDM4E (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11674769 0.71 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-4060544-A COUPLERS GAF CORPORATION (US) 1977-11-29 US disclosed
US-4039524-A Keto-amido containing phenylazo benzothiazole dyestuffs GAF CORPORATION (US) 1977-08-02 US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 US disclosed