SCHEMBL5144422

SCHEMBL5144422

Cc1ccccc1C(C)C(=O)CCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.44
ESR1 P03372 1/20 0.38
ACP3 P15309 1/20 0.38
ALDH1A1 P00352 2/20 0.36
P2RX7 Q99572 1/20 0.36
HDAC1 Q13547 1/20 0.35
CTSA P10619 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
NR3C2 P08235 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CXCL8 P10145 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL7599990 0.80 P2RX7 (0.48) ALDH1A1P2RX7HDAC1
SCHEMBL8833419 0.77 ESR1 (0.46) GLSESR1ACP3ALDH1A1NR3C2
SCHEMBL8614640 0.76 PTGS2 (0.46) MAPT
SCHEMBL15695548 0.75 ESR1 (0.45) GLSESR1ACP3ALDH1A1CXCL8
SCHEMBL15641407 0.75 PTGS2 (0.48) GLSESR1ACP3ALDH1A1KDM4E
SCHEMBL30717242 0.75 PTGS2 (0.48) GLSESR1ACP3ALDH1A1KDM4E
SCHEMBL362699 0.75 PTGS2 (0.48) GLSESR1ACP3ALDH1A1KDM4E
SCHEMBL363983 0.74 TSHR (0.48) GLSESR1ALDH1A1MEN1LMNA
SCHEMBL10996273 0.74 GLS (0.44) GLSALDH1A1HDAC1NR3C2KMT2A
SCHEMBL8820174 0.73 ESR1 (0.43) GLSESR1ACP3ALDH1A1CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463465-A4 BIOACTIVE SPINAL IMPLANTS AND METHOD OF MANUFACTURE THEREOF VITA SPECIAL PURPOSE CORP (US) 2007-10-03 EP disclosed
EP-1463465-A1 BIOACTIVE SPINAL IMPLANTS AND METHOD OF MANUFACTURE THEREOF Vita Special Purpose Corporation (US) 2004-10-06 EP disclosed
WO-2003053290-A1 BIOACTIVE SPINAL IMPLANTS AND METHOD OF MANUFACTURE THEREOF VITA SPECIAL PURPOSE CORPORATION (US) 2003-07-03 WO disclosed