SCHEMBL4745186

SCHEMBL4745186

CC(CC1CCCC1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.34
LTA4H P09960 1/20 0.33
SHBG P04278 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSH P09668 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
SCHEMBL8075546 0.97 SHBG (0.37) CTSKLTA4HSHBGMEN1KMT2A
SCHEMBL6620420 0.95 CTSK (0.31) CTSKLTA4H
SCHEMBL12817708 0.95 SHBG (0.39) CTSKSHBGMEN1KMT2ACYP1A2
SCHEMBL5479967 0.92 SHBG (0.42) CTSKSHBGMEN1KMT2ACYP1A2
SCHEMBL7392023 0.92 SHBG (0.42) CTSKSHBGMEN1KMT2ACYP1A2
SCHEMBL24622520 0.92 SHBG (0.42) CTSKSHBGMEN1KMT2ACYP1A2
SCHEMBL5460788 0.92 SHBG (0.42) CTSKSHBGMEN1KMT2ACYP1A2
SCHEMBL2339293 0.92 SHBG (0.42) CTSKSHBGMEN1KMT2ACYP1A2
SCHEMBL2554864 0.89
SCHEMBL11466074 0.80 CTSK (0.34) CTSKLTA4HKMT2ACTSLCTSB

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-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed