SCHEMBL11248744

SCHEMBL11248744

c1ccc(CCCCCCOP(OCCCCCCc2ccccc2)OCCCCCCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.53
IDO1 P14902 1/20 0.50
MAOA P21397 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAOB P27338 1/20 0.47
NAAA Q02083 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL11255629 1.00 SIGMAR1 (0.53) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL11550954 0.91 IDO1 (0.59) SIGMAR1IDO1MAOAMAOBDRD2
SCHEMBL11550038 0.89 IDO1 (0.57) SIGMAR1IDO1MAOAMAOBDRD2
SCHEMBL11551499 0.89 IDO1 (0.57) SIGMAR1IDO1MAOAMAOBDRD2
SCHEMBL29036387 0.84 SIGMAR1 (0.50) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL6743777 0.84 SIGMAR1 (0.50) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL6561009 0.84 SIGMAR1 (0.50) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL11880603 0.84 SIGMAR1 (0.50) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL7107595 0.84 SIGMAR1 (0.50) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL6462217 0.84 SIGMAR1 (0.50) SIGMAR1IDO1MAOATDP1L3MBTL1

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-4340514-A RESINATES INTERSTAB CHEMICALS INC. (US) 1982-07-20 US disclosed