SCHEMBL28989649

SCHEMBL28989649

COC(=O)C(C)=Cc1cccc2ccc3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ GCGR P47871 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL3826539 0.88 KDM4E (0.55) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL28989628 0.86 KDM4E (0.47) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL21176416 0.81 ALDH1A1 (0.48) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL909620 0.78 MTNR1A (0.44) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL28445122 0.77 MAOB (0.43) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL10537503 0.76 KDM4E (0.55) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL28989646 0.75 ALDH1A1 (0.43) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL16318068 0.75 MAPT (0.43) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL28989644 0.75 MEN1 (0.42) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL15913822 0.74 MAPT (0.56) MTNR1AMTNR1BKDM4EALDH1A1MAPT

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-115989251-A Composition comprising an additive having polycyclic aromatic groups 伊英克公司 2023-04-18 — — CN disclosed
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