SCHEMBL28658989

SCHEMBL28658989

CCCCC(CCCC)CCCCCCCCOCCCCCCCCC(CCCC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
DNM1 Q05193 2/20 0.40
CES2 O00748 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL28668146 1.00 CYP3A4 (0.48) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL30198860 0.98 HTT (0.52) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL30585300 0.95 HTT (0.54) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL30198787 0.95 HTT (0.54) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL9218954 0.95 HTT (0.54) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL31188608 0.95 HTT (0.54) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL1734748 0.95 HTT (0.54) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL1734657 0.93 HTT (0.58) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL30198788 0.91 HTT (0.50) CYP3A4HTTMEN1THRBKMT2A
SCHEMBL25730130 0.91 HTT (0.56) CYP3A4HTTMEN1THRBKMT2A

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
CN-114901690-A Treatment of cancer with Antibody Drug Conjugates (ADCs) that bind 191P4D12 protein 艾更斯司股份有限公司 2022-08-12 CN disclosed
CN-113677364-A Pharmaceutical compositions comprising anti-191P 4D12 antibody drug conjugates and methods of use thereof 艾更斯司股份有限公司 2021-11-19 CN disclosed