SCHEMBL6680069

SCHEMBL6680069

CCCCCNC1(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.42
SPHK1 Q9NYA1 7/20 0.39
CASP2 P42575 1/20 0.38
AKR1B1 P15121 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL9782359 0.98 EPHX1 (0.45) EPHX1SPHK1CASP2
SCHEMBL6179296 0.92 EPHX1 (0.39) EPHX1SPHK1
SCHEMBL7718359 0.91 NAAA (0.40) EPHX1SPHK1
SCHEMBL7713427 0.89 NAAA (0.42) EPHX1SPHK1
SCHEMBL11497488 0.88 KDM4E (0.43) EPHX1SPHK1
SCHEMBL28524188 0.85 CNR2 (0.39) EPHX1POLBALOX15
SCHEMBL10207201 0.78 POLB (0.36) EPHX1POLB
SCHEMBL1560416 0.77 CXCR5 (0.54) EPHX1
SCHEMBL3377284 0.76 SPHK1 (0.43) EPHX1SPHK1
SCHEMBL31327398 0.75 CYP1A2 (0.44)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004062361-A2 SPIRO COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-07-29 WO disclosed
WO-2004024692-A1 HETEROCYCLYLCARBONYL AMINOCYCLOPROPANE CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-03-25 WO disclosed
WO-2004024692-A1 HETEROCYCLYLCARBONYL AMINOCYCLOPROPANE CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-03-25 WO disclosed
US-5041612-A Plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed