SCHEMBL3468705

SCHEMBL3468705

CC1CC1COc1cc(C(=O)O)cc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
JAK3 P52333 1/20 0.36
ATXN2 Q99700 1/20 0.36
FFAR4 Q5NUL3 5/20 0.35
NAPRT Q6XQN6 1/20 0.34
MCHR1 Q99705 1/20 0.33
PLAU P00749 1/20 0.33
PDE10A Q9Y233 1/20 0.32
TPMT P51580 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7878342 0.88 ATXN2 (0.37) TAS1R3TAS1R1TAS1R2JAK3ATXN2
SCHEMBL899603 0.78 MAPT (0.50) PLAUTPMTTDP1MEN1KMT2A
SCHEMBL3469047 0.78 KDM4C (0.42) FFAR4ACACB
SCHEMBL21314319 0.76 ATXN2 (0.57) JAK3ATXN2
SCHEMBL15662782 0.76 KMT2A (0.45) PLAUTDP1KMT2A
SCHEMBL20202164 0.74 GPR84 (0.47) TDP1MEN1KMT2A
SCHEMBL10287469 0.74 PLA2G2A (0.49) MEN1KMT2A
SCHEMBL3714048 0.74 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2FFAR4PLAU
SCHEMBL7875153 0.74 BACE1 (0.45) FFAR4
SCHEMBL7880559 0.74 TACR3 (0.36) TAS1R3TAS1R1TAS1R2ATXN2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed