SCHEMBL29282944

SCHEMBL29282944

Cc1ccc(C=C(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.67
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL4142682 0.82 NR1H4 (0.56) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL4142686 0.82 NR1H4 (0.56) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL21235487 0.82 ALDH1A1 (0.60) KMT2AMAPTLMNAMAPK1ALDH1A1
SCHEMBL10595247 0.81 NR1H4 (0.59) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL15095092 0.80 MEN1 (0.77) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL29282943 0.80 NR1H4 (0.54) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL6041621 0.80 NR1H4 (1.00) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL20577603 0.80 ALDH1A1 (0.58) NR1H4KMT2AMEN1LMNAMAPK1
SCHEMBL30474617 0.80 ALDH1A1 (0.58) NR1H4KMT2AMEN1LMNAMAPK1
SCHEMBL4877502 0.79 NR1H4 (0.53) NR1H4KMT2AMEN1MAPTLMNA

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-118063648-A Solid catalyst component for propylene polymerization and propylene polymerization catalyst system 中国石油天然气股份有限公司 2024-05-24 CN disclosed