SCHEMBL8979396

SCHEMBL8979396

CCOC(=O)C(C)OC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
METAP2 P50579 1/20 0.35
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33
PPOX P50336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9044976 1.00 ALDH1A1 (0.39) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL8374251 1.00 ALDH1A1 (0.39) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL29198506 1.00 ALDH1A1 (0.39) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL7263222 0.86 RAB9A (0.35) MEN1KMT2ASLC6A3RAB9ATSHR
SCHEMBL13983475 0.86 RAB9A (0.35) MEN1KMT2ASLC6A3RAB9ATSHR
SCHEMBL7263221 0.86 RAB9A (0.35) MEN1KMT2ASLC6A3RAB9ATSHR
SCHEMBL8632433 0.86 ALDH1A1 (0.40) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL10493718 0.85 METAP2 (0.38) ALDH1A1METAP2MEN1KMT2ACYP2C19
SCHEMBL14017319 0.85 ALDH1A1 (0.37) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL2380756 0.84 SLC6A3 (0.43) ALDH1A1MEN1KMT2ASLC6A3HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
EP-0322815-B1 Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1996-05-15 EP disclosed
US-5312999-A Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
US-5136059-A PROPOXYBENZENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-04 US disclosed
EP-0301587-B1 LIQUID CRYSTAL COMPOUNDS AND INTERMEDIATES THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-15 EP disclosed
US-5114615-A Compounds for optical apparatus WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-19 US disclosed
EP-0357850-A1 Polymer composition, capable of forming a chiral nematic mesophase STAMICARBON B.V. (NL) 1990-03-14 EP disclosed
EP-0322815-A2 Propoxybenzene derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0301587-A1 Liquid crystal compounds and intermediates thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-01 EP disclosed