SCHEMBL27976403

SCHEMBL27976403

COC(=O)CC1(C(=O)OC)C=c2ccccc2=N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
CACNA1C Q13936 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7474872 0.83 CYP3A4 (0.40) HTTMEN1KMT2APOLBALDH1A1
SCHEMBL15057654 0.74 MEN1 (0.35) HTTMEN1KMT2APOLBALDH1A1
SCHEMBL27768567 0.72 TSHR (0.34) HTTMEN1KMT2APOLBALDH1A1
SCHEMBL1847048 0.71 PKM (0.37) KMT2AALDH1A1CYP3A4TSHR
SCHEMBL8428534 0.70 ABCB1 (0.36) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL10783455 0.68 L3MBTL1 (0.32)
SCHEMBL7270073 0.65 PKM (0.37) KMT2AALDH1A1TSHR
SCHEMBL8074486 0.65 PKM (0.37) KMT2AALDH1A1TSHR
SCHEMBL28986340 0.65 ALDH1A1 (0.41) HTTKMT2APOLBALDH1A1MAPT
SCHEMBL9457719 0.65 PKM (0.34) KMT2AKDM4EHPGDHSD17B10TSHR

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-104016989-A Method for synthesizing caulerpin UNIV SHANGHAI MARITIME 2014-09-03 CN disclosed