SCHEMBL31553

SCHEMBL31553

CC(=O)CCCC(C)CC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CTSK P43235 7/20 0.35
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
CPB2 Q96IY4 2/20 0.35
CTSH P09668 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7385945 0.86 MAPT (0.47) MAPTCPB2ALDH1A1
SCHEMBL7380129 0.84 MAPT (0.46) MAPTCTSKCTSLCTSBCPB2
SCHEMBL7384421 0.82 MAPT (0.47) MAPTCPB2
SCHEMBL27507024 0.81 TSHR (0.44) CTSKCTSLCTSBCPB2CTSH
SCHEMBL27505427 0.80 EPHX2 (0.46) CTSKCTSLCTSBCPB2CTSH
SCHEMBL27506590 0.78 TSHR (0.44) MAPTCTSKCTSLCTSBCPB2
SCHEMBL19489553 0.78 LTA4H (0.42) CPB2KMT2AALDH1A1
SCHEMBL7380671 0.78 MAPT (0.54) MAPT
SCHEMBL7103418 0.77 ALDH1A1 (0.41) CTSKCTSLCTSBCTSHALDH1A1
SCHEMBL6155998 0.76 MAPT (0.49) MAPTCTSKCTSLCTSBCPB2

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
WO-2012025934-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2012-03-01 WO disclosed