SCHEMBL30673227

SCHEMBL30673227

CC(C(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 3/20 0.42
EPHX1 P07099 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34

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
SCHEMBL12759094 0.85 GAA (0.46) GAAL3MBTL1IDO1EPHX1LMNA
SCHEMBL6032316 0.73 SHBG (0.31)
SCHEMBL6032750 0.73 SHBG (0.31)
SCHEMBL23832132 0.73 SHBG (0.31)
SCHEMBL12759095 0.70 SIGMAR1 (0.42) TAAR1
Biphenyl SCHEMBL27916362 0.70 ROCK2 (0.37) GAAL3MBTL1EPHX1LMNAALDH1A1
SCHEMBL7700509 0.69 IDO1 (0.55) GAAL3MBTL1IDO1EPHX1LMNA
SCHEMBL20712624 0.68 SLC6A4 (0.42) GAAL3MBTL1IDO1EPHX1LMNA
SCHEMBL9028373 0.68 GAA (0.47) GAAL3MBTL1IDO1EPHX1LMNA
SCHEMBL4603729 0.67 GAA (0.55) GAAL3MBTL1IDO1EPHX1LMNA

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-117024285-A Organic compound and organic electroluminescent device comprising the same SK株式会社 2023-11-10 CN disclosed