SCHEMBL11675151

SCHEMBL11675151

CCCOC(=O)C(C)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 3/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ELANE P08246 1/20 0.42
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.40
KLK7 P49862 1/20 0.40

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
Hydrochloric Acid SCHEMBL10528752 0.98 GAA (0.51) GAASMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL8031605 0.86 ELANE (0.53) GAASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL6026706 0.86 ELANE (0.53) GAASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL655368 0.86 ELANE (0.53) GAASMN1; SMN2LMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL1171032 0.85 ELANE (0.52) GAASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL19707799 0.84 KMT2A (0.48) GAASMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL28986475 0.82 ELANE (0.38) GAASMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL28841753 0.81 CHRM1 (0.55) SMN1; SMN2LMNAALDH1A1
SCHEMBL4681333 0.80 KMT2A (0.52) GAASMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL29033348 0.80 TDP1 (0.50) GAASMN1; SMN2HPGDLMNAALDH1A1

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