SCHEMBL11523313

SCHEMBL11523313

CCCCCCCCOC(=O)NOC(=O)/C=C/C(=O)ONC(=O)OCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
HCAR2 Q8TDS4 3/20 0.57
ATM Q13315 1/20 0.53
ACHE P22303 10/20 0.51
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAAA Q02083 1/20 0.47

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
SCHEMBL8674793 1.00 EPHX1 (0.58) EPHX1HCAR2ATMACHEMAPT
SCHEMBL8711739 0.93 ATM (0.62) EPHX1HCAR2ATMACHEMAPT
SCHEMBL11527834 0.82 EPHX1 (0.61) EPHX1ACHENAAA
SCHEMBL11527414 0.82 EPHX1 (0.61) EPHX1ACHENAAA
SCHEMBL11302108 0.80 EPHX1 (0.58) EPHX1ACHENAAA
SCHEMBL11532760 0.79 EPHX1 (0.58) EPHX1ACHENAAA
SCHEMBL11531047 0.79 EPHX1 (0.58) EPHX1ACHENAAA
SCHEMBL9318682 0.79 HCAR2 (0.85) EPHX1HCAR2ATMMAPTRAB9A
SCHEMBL18209632 0.79 HCAR2 (0.85) EPHX1HCAR2ATMMAPTRAB9A
SCHEMBL1305378 0.79 HCAR2 (0.85) EPHX1HCAR2ATMMAPTRAB9A

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-4160866-A CROSSLINKERS FOR NATURAL AND SYNTHETIC RUBBERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 US disclosed