SCHEMBL9738149

SCHEMBL9738149

N#CCCOC(=O)CC(=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
CTSB P07858 2/20 0.35
CTSL P07711 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
EPHX2 P34913 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL9194470 0.84 CES2 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
Cyclopentane SCHEMBL20528160 0.78 MAPT (0.33) MEN1KMT2AMAPT
Cycloheptane SCHEMBL20528163 0.78 MAPT (0.33) MEN1KMT2AMAPT
SCHEMBL28549878 0.78 PAX8 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
Cyclohexane SCHEMBL20528150 0.78 MAPT (0.33) MEN1KMT2AMAPT
SCHEMBL5685765 0.76 GAA (0.40) MEN1KMT2AALDH1A1GAATDP1
SCHEMBL9197406 0.75 CYP3A4 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL18775796 0.74 NPC1 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL27572592 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1EPHX2POLB
SCHEMBL434421 0.74 MGAM (0.52) SMN1; SMN2MEN1KMT2AALDH1A1POLB

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
US-5173495-A 7-[(2,6-dialkyl-4-furyl or thienyl-pyridyl)]-3,5-di-(dihydroxy-6-enoates) useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-4968689-A Certain 2,6-diisopropyl-4-(4-fluoro-phenyl)-3,5-bis-dimethyl-3',5'-dihydroxy-hept-6-enoate-pyridine derivatives useful for treating lipoproteinaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed