SCHEMBL4069142

SCHEMBL4069142

CC1(C)CCC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.45
SLC6A11 P48066 1/20 0.45
APLNR P35414 1/20 0.44
GRM4 Q14833 6/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GRM8 O00222 2/20 0.41
GRM6 O15303 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18105922 0.86 SLC6A12 (0.39) SLC6A12SLC6A11APLNRGRM4CYP2C19
SCHEMBL8522673 0.83 APLNR (0.62) SLC6A12SLC6A11APLNRGRM4CYP2C19
SCHEMBL19830981 0.79 APLNR (0.39) SLC6A12SLC6A11APLNRGRM4CYP2C19
SCHEMBL15514382 0.78 GRM4 (0.48) SLC6A12SLC6A11APLNRGRM4CYP2C19
SCHEMBL18105684 0.78 APLNR (0.38) SLC6A12SLC6A11APLNRGRM4CYP2C19
SCHEMBL18105681 0.78 APLNR (0.38) SLC6A12SLC6A11APLNRGRM4CYP2C19
SCHEMBL11296019 0.75 EPHX1 (0.39) SLC6A12SLC6A11APLNRGRM4CYP2C19
Hydrochloric Acid SCHEMBL17049021 0.75 SLC6A12 (0.41) SLC6A12SLC6A11APLNRGRM4CYP2C19
SCHEMBL23590185 0.74 APLNR (0.65) SLC6A12SLC6A11APLNRGRM4CYP2C19
SCHEMBL8318891 0.74 APLNR (0.65) SLC6A12SLC6A11APLNRGRM4CYP2C19

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
EP-2038283-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed