SCHEMBL14711622

SCHEMBL14711622

C#Cc1ccc(C2(CC(=O)OC)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
HSD11B1 P28845 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
TP53 P04637 1/20 0.33
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL15897753 0.80 POLB (0.48) HSD11B1GAATP53P2RX7POLB
SCHEMBL14711534 0.80 HPGD (0.47) HSD11B1GAAPOLB
SCHEMBL14794814 0.80 OPRM1 (0.40) HSD11B1GAATP53P2RX7POLB
SCHEMBL14710585 0.74 DGAT1 (0.41)
SCHEMBL16569553 0.73 CHRM5 (0.33) CTSLCTSBCTSSSLC6A4SLC6A3
SCHEMBL16569143 0.73 SLC6A2 (0.34) CTSLCTSBCTSSSLC6A2SLC6A4
SCHEMBL14710344 0.73 CTSL (0.39) CTSLCTSBCTSSHSD11B1SLC6A2
SCHEMBL5365203 0.71 P2RX7 (0.56) P2RX7POLB
SCHEMBL723702 0.71 DRD2 (0.47) SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL18112004 0.71 HSD11B1 (0.49) HSD11B1SLC6A4SLC6A3P2RX7POLB

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-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed