SCHEMBL29099302

SCHEMBL29099302

Oc1ccc(OCc2ccccc2)c(CCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.67
DRD2 P14416 3/20 0.67
ABCB1 P08183 6/20 0.56
ABCG2 Q9UNQ0 1/20 0.55
ELANE P08246 4/20 0.54
F2 P00734 1/20 0.54
SLC2A1 P11166 1/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL30628475 1.00 HTR1A (0.67) HTR1ADRD2ABCB1ABCG2ELANE
SCHEMBL8676962 0.87 ELANE (0.52) HTR1ADRD2ABCB1ABCG2ELANE
SCHEMBL6702536 0.87 ELANE (0.52) HTR1ADRD2ELANEF2SLC2A1
SCHEMBL8757373 0.85 ELANE (0.71) HTR1ADRD2ELANEF2SLC2A1
SCHEMBL31555136 0.83 ABCB1 (0.58) ABCB1ABCG2
SCHEMBL1894477 0.83 ELANE (0.58) HTR1ADRD2ELANEF2LMNA
SCHEMBL8406943 0.82 HTR1A (0.65) HTR1ADRD2ABCB1ABCG2LMNA
SCHEMBL12707582 0.82 HTR1A (0.65) HTR1ADRD2ABCB1ABCG2MAPT
SCHEMBL8406440 0.81 PTGER1 (0.63) HTR1ADRD2ABCB1MEN1TP53
SCHEMBL8321346 0.81 PTGER1 (0.77) ELANEF2HPGDPTGER1PTGER4

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-112424159-B Novel P62 ligand compound and composition for preventing, improving or treating protein conformational diseases comprising the same 普罗泰克株式会社 2023-10-31 CN disclosed