SCHEMBL4903510

SCHEMBL4903510

C=Cc1ccc(C(=O)OCCN(CC)CC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
CYP2D6 P10635 3/20 0.67
HRH3 Q9Y5N1 3/20 0.67
MAOA P21397 2/20 0.67
HTR3A P46098 1/20 0.67
BLM P54132 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
SCN1A P35498 4/20 0.63
SCN2A Q99250 4/20 0.63
SCN3A Q9NY46 4/20 0.63
LMNA P02545 2/20 0.63
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 2/20 0.51
KCNH2 Q12809 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
Hydrochloric Acid SCHEMBL11680444 0.99 BLM (0.68) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL4906593 0.85 PHLPP2 (0.65) TSHRCYP2D6HRH3MAOAHTR3A
Hydrochloric Acid SCHEMBL11677667 0.84 PHLPP2 (0.63) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL11683126 0.83 TSHR (0.47) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL8489295 0.83 TSHR (0.72) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL4904335 0.83 ALDH1A1 (0.64) TSHRCYP2D6LMNAMEN1KMT2A
SCHEMBL26417020 0.82 SNCA (0.49) TSHRCYP2D6LMNAMEN1KMT2A
SCHEMBL8489298 0.81 TSHR (0.74) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL28853482 0.81 CYP2D6 (0.74) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL11683280 0.81 PHLPP2 (0.46) TSHRCYP2D6HRH3MAOAHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4004025-A Long-acting local subcutaneously-applied anesthetics and compositions containing the same Lewenstein, Evalina (US) 1977-01-18 US claimed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
US-4004025-A Long-acting local subcutaneously-applied anesthetics and compositions containing the same Lewenstein, Evalina (US) 1977-01-18 US disclosed