SCHEMBL28797481

SCHEMBL28797481

COC(=O)C1CCCCC1CN1Oc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 2/20 0.38
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 1/20 0.34
CTSK P43235 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL27869391 0.83 TAAR1 (0.40) HSD17B10KMT2AKDM4EALDH1A1MAPT
SCHEMBL3781516 0.77 KMT2A (0.46) SLC6A2SLC6A4CYP1A2MAPK1KMT2A
SCHEMBL3772459 0.75 CYP1A2 (0.45) SLC6A2SLC6A4HSD17B10CYP1A2MAPK1
SCHEMBL27869331 0.70 ALDH1A1 (0.39) HSD17B10TSHRCYP3A4CYP2D6MAPK1
SCHEMBL3787457 0.69 MMP2 (0.44) HSD17B10CYP1A2KMT2AALDH1A1MAPT
SCHEMBL23022877 0.68 CTSK (0.47) SLC6A2SLC6A4KMT2ACTSKKDM4E
SCHEMBL27852525 0.68 KDM4E (0.45) TSHRCYP1A2MAPK1KMT2AKDM4E
SCHEMBL30472636 0.68 SLC6A2 (0.40) SLC6A2SLC6A4CYP3A4ALDH1A1NPSR1
SCHEMBL1934486 0.68 SLC6A2 (0.40) SLC6A2SLC6A4CYP3A4ALDH1A1NPSR1
SCHEMBL2295236 0.68 SLC6A2 (0.40) SLC6A2SLC6A4CYP3A4ALDH1A1NPSR1

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-101415677-B Method for producing polycyclic lactams SUMITOMO CHEMICAL CO 2012-05-23 CN disclosed