SCHEMBL10695915

SCHEMBL10695915

CSc1ccc(CCCC(=O)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
SLC6A3 Q01959 2/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL8540107 0.89 MMP12 (0.46) MMP12MMP13SMN1; SMN2KDM4EMEN1
SCHEMBL46638 0.84 HSD17B10 (0.61) MMP12MMP13HSD17B10SMN1; SMN2SLC6A3
SCHEMBL8588995 0.82 SLC6A4 (0.39) MMP12MMP13SMN1; SMN2KDM4EMEN1
SCHEMBL1455083 0.79 PLAAT3 (0.50) HSD17B10SMN1; SMN2SLC6A3HDAC3MAPK1
SCHEMBL28228920 0.78 MMP12 (0.49) MMP12MMP13HSD17B10SMN1; SMN2KDM4E
SCHEMBL712396 0.77 MAPT (0.62) MMP12MMP13HSD17B10SMN1; SMN2SLC6A3
SCHEMBL2407621 0.77 SMN1; SMN2 (0.46) MMP12MMP13HSD17B10SMN1; SMN2KDM4E
SCHEMBL11572521 0.77 HDAC3 (0.58) SMN1; SMN2MEN1KMT2ASLC6A3HDAC3
SCHEMBL38664087 0.76 SMN1; SMN2 (0.52) MMP12MMP13HSD17B10SMN1; SMN2KDM4E
SCHEMBL3866365 0.76 PLAAT3 (0.50) HSD17B10SMN1; SMN2KMT2ASLC6A3HDAC3

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-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed