SCHEMBL2595205

SCHEMBL2595205

CC(C(=O)O)C1C=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX7 Q99572 1/20 0.37
SIGMAR1 Q99720 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.34
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
HDAC4 P56524 1/20 0.32
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
CYP2D6 P10635 1/20 0.31
SRC P12931 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
SCHEMBL31072338 0.82 SRC (0.38) P2RX4P2RX1P2RX3P2RX7SIGMAR1
SCHEMBL31072339 0.82 SRC (0.38) P2RX4P2RX1P2RX3P2RX7SIGMAR1
SCHEMBL6055183 0.80 SIGMAR1 (0.37) P2RX4P2RX1P2RX3P2RX7SIGMAR1
Malonic Acid SCHEMBL11137101 0.79 SIGMAR1 (0.42) P2RX4P2RX1P2RX3P2RX7SIGMAR1
SCHEMBL3805977 0.79 CYP1A2 (0.40) SIGMAR1MEN1KMT2AATMLMNA
SCHEMBL668104 0.77 SIGMAR1 (0.38) P2RX4P2RX1P2RX3P2RX7SIGMAR1
SCHEMBL29658875 0.77 SIGMAR1 (0.41) P2RX4P2RX1P2RX3P2RX7SIGMAR1
SCHEMBL29603716 0.77 SIGMAR1 (0.38) P2RX4P2RX1P2RX3P2RX7SIGMAR1
SCHEMBL28003595 0.77 SIGMAR1 (0.38) P2RX4P2RX1P2RX3P2RX7SIGMAR1
SCHEMBL5597184 0.77 SIGMAR1 (0.41) P2RX4P2RX1P2RX3P2RX7SIGMAR1

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-2011140525-A2 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-11-10 WO disclosed