SCHEMBL29211141

SCHEMBL29211141

O=C(C#CO)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.42
BCHE P06276 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
ELANE P08246 2/20 0.38
CYP19A1 P11511 1/20 0.38
RAB9A P51151 1/20 0.37
RAD51 Q06609 1/20 0.37

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
SCHEMBL4544920 0.89 TDP1 (0.48) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL10411906 0.84 TDP1 (0.45) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL27720206 0.83 TDP1 (0.44) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL10751774 0.81 TDP1 (0.42) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL15279130 0.79 NPSR1 (0.48) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL735728 0.77 TDP1 (0.47) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL852512 0.76 ELANE (0.41) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL19222858 0.76 CCNE1 (0.42) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL505224 0.76 THRA (0.49) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL7499252 0.76 ATM (0.45) TDP1ATML3MBTL1ALOX15HPGD

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-117529377-A Organic binder, composition for producing inorganic material molded body, green body, degreased body, inorganic material molded body, and method for producing inorganic material molded body 株式会社吴羽 2024-02-06 CN disclosed