SCHEMBL7644168

SCHEMBL7644168

C1CCCCC([N]C2CCCCCCCCC2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 4/20 0.45
SIGMAR1 Q99720 3/20 0.35
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL49195 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL819653 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL49353 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL7647781 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL2917831 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL1679057 0.96 EPHX1 (0.47) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL1678725 0.96 EPHX1 (0.47) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL1679055 0.96 EPHX1 (0.47) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL49819 0.96 EPHX1 (0.44) EPHX1HIF1AALDH1A1SIGMAR1KMT2A
SCHEMBL1678970 0.92

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
US-6455458-B1 HIGH MOLECULAR WEIGHT POLYOLEFIN; GROUP 4 TRANSITION METAL COMPLEXES HAVING A BIDENTATE ANCILLARY LIGAND SYSTEM OF ONE CYCLOPENTADIENYL GROUP BOUND TO THE TRANSITION METAL AND A GROUP 15 OR GROUP 16 ATOM COVALENTLY BOUND THROUGH A BRIDGING EXXONMOBIL CHEMICAL PATENTS INC. 2002-09-24 US disclosed