SCHEMBL9107859

SCHEMBL9107859

CCCCC(CCCCC(C)C)OC(=O)C1CCCC(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
CTSK P43235 3/20 0.32
ANPEP P15144 1/20 0.32
BTK Q06187 1/20 0.32
S1PR5 Q9H228 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CNR1 P21554 2/20 0.31
DAGLA Q9Y4D2 2/20 0.31
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5375229 0.99 EPHX2 (0.46) EPHX2CTSKANPEPBTKS1PR5
SCHEMBL27646678 0.96 EPHX2 (0.43) EPHX2CTSKS1PR5CNR1DAGLA
SCHEMBL5371363 0.91 EPHX2 (0.47) EPHX2CTSKS1PR5CNR1DAGLA
SCHEMBL5363251 0.88 EPHX2 (0.45) EPHX2CTSKS1PR5CNR1DAGLA
SCHEMBL27646579 0.88 EPHX2 (0.45) EPHX2CTSKS1PR5CNR1DAGLA
SCHEMBL5372110 0.88 EPHX2 (0.45) EPHX2CTSKS1PR5CNR1DAGLA
SCHEMBL5362953 0.88 EPHX2 (0.45) EPHX2CTSKS1PR5CNR1DAGLA
SCHEMBL5374387 0.86 EPHX2 (0.48) EPHX2ANPEPBTKS1PR5
SCHEMBL5375355 0.85 EPHX2 (0.46) EPHX2S1PR5
SCHEMBL5371355 0.85 EPHX2 (0.37) EPHX2CTSKS1PR5CNR1DAGLA

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-20120138206-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-06-07 US disclosed