SCHEMBL31618596

SCHEMBL31618596

OC(c1ccccc1)C1CCCCO1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.56
EPHX1 P07099 1/20 0.41
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11348436 0.95 SLC6A3 (0.50) SLC6A3EPHX1HPGDGAAL3MBTL1
SCHEMBL9891700 0.83 SLC6A3 (0.40) SLC6A3HPGD
SCHEMBL1128830 0.83 SLC6A3 (0.45) SLC6A3HPGDGAAKMT2ATDP1
SCHEMBL4566341 0.82 SLC6A3 (0.50) SLC6A3EPHX1HPGDMEN1KMT2A
SCHEMBL3380082 0.81 SLC6A3 (0.55) SLC6A3HPGDGAAL3MBTL1
SCHEMBL28970068 0.79 SLC6A3 (0.52) SLC6A3HPGDGAAL3MBTL1LMNA
SCHEMBL20776309 0.79 SLC6A3 (0.52) SLC6A3HPGDGAAL3MBTL1LMNA
SCHEMBL19493796 0.79 SLC6A3 (0.56) SLC6A3HPGDGAAL3MBTL1LMNA
SCHEMBL1237578 0.77 POLB (0.42) SLC6A3EPHX1LMNAHTT
SCHEMBL15846301 0.77 SLC6A3 (0.70) SLC6A3HPGDGAALMNAMEN1

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
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed