SCHEMBL28569112

SCHEMBL28569112

COC(=O)c1ccc2c(ccn2CC2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.59
CNR1 P21554 8/20 0.57
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
EPHX2 P34913 3/20 0.42
PPARG P37231 2/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL28563850 0.88 ALDH1A1 (0.59) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL28586562 0.85 CNR2 (0.46) CNR2CNR1EPHX2PPARG
SCHEMBL5452646 0.80 ALDH1A1 (0.70) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL20436343 0.77 HTR2A (0.48) CNR2CNR1CYP2C9CYP2C19
SCHEMBL2324058 0.77 TUBB4A (0.62) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL13699049 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL3144113 0.76 KDM4E (0.51) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL31200152 0.75 MAPT (0.43) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL28834838 0.75 CNR2 (0.41) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL23902660 0.75 CNR2 (0.49) CNR2CNR1

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed
CN-112759541-A Indole-like derivatives and uses thereof 复旦大学 2021-05-07 CN disclosed