SCHEMBL29174151

SCHEMBL29174151

COC(=O)CC(c1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CRHBP P24387 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL1429119 0.89 KMT2A (0.60) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2347309 0.88 HPGD (0.57) LMNAKMT2AHPGDTACR1KCNA5
SCHEMBL3358300 0.83 HPGD (0.50) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL6306108 0.81 MTNR1A (0.63) TDP1TACR1
SCHEMBL3974675 0.78 KCNA5 (0.50) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL27644065 0.78 PTGS1 (0.55) MEN1CYP2D6HTTKMT2ANPSR1
SCHEMBL29174147 0.78 MAPT (0.46) LMNACYP2C19HTTNPSR1HPGD
SCHEMBL9909362 0.78 HPGD (0.56) MEN1CYP3A4CYP2C19KMT2ANPSR1
SCHEMBL1894982 0.78 HPGD (0.56) MEN1CYP3A4CYP2C19KMT2ANPSR1
SCHEMBL27898272 0.77 MAPT (0.55) MEN1LMNAHTTKMT2AHPGD

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-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed