SCHEMBL11036075

SCHEMBL11036075

NCCc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
HDAC3 O15379 2/20 0.67
HDAC4 P56524 2/20 0.67
HDAC1 Q13547 2/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC2 Q92769 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
HDAC5 Q9UQL6 2/20 0.67
MAPK1 P28482 1/20 0.67
ADRA1A P35348 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HSD17B10 Q99714 1/20 0.61
FFAR1 O14842 3/20 0.58
HTR2A P28223 3/20 0.57
MAPT P10636 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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 SCHEMBL10867576 0.98 SMN1; SMN2 (0.64) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9329305 0.94 MAPT (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6208836 0.89 SMN1; SMN2 (0.82) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11135780 0.88 MAPT (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL434792 0.88 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11007974 0.88 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4845038 0.87 FFAR1 (0.65) SMN1; SMN2FFAR1HTR2AALDH1A1LMNA
SCHEMBL69789 0.87 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL11105604 0.85 FFAR1 (0.63) SMN1; SMN2FFAR1HTR2AALDH1A1LMNA
SCHEMBL29010085 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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-0131445-A2 Polyphenylene ether resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-01-16 EP disclosed