SCHEMBL28009506

SCHEMBL28009506

NCC1(C2CCCC2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL331381 1.00 EPHX1 (0.32) EPHX1KDM4EMAPTUSP2ALDH1A1
SCHEMBL5183304 1.00 EPHX1 (0.32) EPHX1KDM4EMAPTUSP2ALDH1A1
SCHEMBL19315953 1.00 EPHX1 (0.32) EPHX1KDM4EMAPTUSP2ALDH1A1
SCHEMBL16599675 0.97 KDM4E (0.32) KDM4EMAPT
SCHEMBL18955033 0.97 KDM4E (0.32) KDM4EMAPT
SCHEMBL5243316 0.95 KDM4E (0.31) KDM4EMAPT
SCHEMBL21280953 0.92 EPHX1 (0.33) EPHX1
SCHEMBL1362200 0.92 EPHX1 (0.33) EPHX1
Hydrochloric Acid SCHEMBL3795500 0.90 KDM4E (0.33) EPHX1KDM4EMAPTLMNABLM
SCHEMBL15547078 0.90

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-104511311-A High-selectivity catalyst system used in trimerization and tetramerization of ethylene and use method thereof UNIV EAST CHINA SCIENCE & TECH 2015-04-15 CN disclosed