SCHEMBL132659

SCHEMBL132659

C[n+]1ccc(C=Cc2ccc(C(O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 7/20 0.55
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
ALPG P10696 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
THRB P10828 1/20 0.52
GFER P55789 1/20 0.52
GLA P06280 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL30612471 0.82 CHAT (0.76) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL19058851 0.82 CHAT (0.57) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL10001242 0.80 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12519753 0.80 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL18535550 0.77 CHAT (0.52) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL9770819 0.77 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12125135 0.77 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL9454839 0.76 CHAT (0.50) CHATRAB9AALDH1A1KDM4EHPGD
Iodide SCHEMBL31042224 0.75 ALDH1A1 (0.64) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12364525 0.74 CHAT (0.64) CHATRAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458760-B1 ENTRAPPED BINDING PROTEINS AS BIOSENSORS BECTON DICKINSON CO (US) 2012-03-07 EP claimed
US-7629172-B2 Entrapped binding protein as biosensors BECTON, DICKINSON AND COMPANY (US) 2009-12-08 US claimed
US-20050042704-A1 Entrapped binding protein as biosensors BECTON, DICKINSON AND COMPANY 2005-02-24 US claimed
EP-1458760-A4 ENTRAPPED BINDING PROTEINS AS BIOSENSORS BECTON DICKINSON CO (US) 2005-01-19 EP claimed
US-20040200993-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2004-10-14 US claimed
EP-1458760-A1 ENTRAPPED BINDING PROTEINS AS BIOSENSORS Becton, Dickinson and Company (US) 2004-09-22 EP claimed
US-20030168629-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2003-09-11 US claimed
US-20030153026-A1 Entrapped binding protein as biosensors BECTON, DICKINSON AND COMPANY 2003-08-14 US claimed
WO-2003057734-A1 ENTRAPPED BINDING PROTEINS AS BIOSENSORS BECTON, DICKINSON AND COMPANY (US) 2003-07-17 WO claimed
US-20040200993-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2004-10-14 US disclosed
US-20030168629-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2003-09-11 US disclosed
WO-2003050094-A1 REACTIVE LIQUID POLYMER CROSSLINKING AGENT AND PROCESS FOR PREPARATION LCB WORLDWIDE INC. (US) 2003-06-19 WO disclosed