SCHEMBL4908362

SCHEMBL4908362

C=CCC[C@H](CC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CCR5 P51681 1/20 0.39
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
OPRD1 P41143 1/20 0.36
CYP2D6 P10635 1/20 0.36
RIPK1 Q13546 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH1 P35367 3/20 0.34
HTR2A P28223 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
MIF P14174 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2132327 1.00 LMNA (0.41) LMNACCR5CYP2C19POLBMEN1
SCHEMBL4635803 0.89 LMNA (0.38) LMNACCR5CYP2C19POLBMEN1
SCHEMBL6142589 0.89 CYP2C19 (0.34) LMNACCR5CYP2C19POLBMEN1
SCHEMBL17183657 0.87 NR1I2 (0.39) LMNACCR5CYP2C19POLBMEN1
SCHEMBL4635860 0.87 AOC3 (0.39) LMNACYP2C19OPRD1CYP2D6RIPK1
SCHEMBL17183783 0.86 NR1I2 (0.41) LMNACCR5CYP2C19POLBMEN1
SCHEMBL17183710 0.86 NR1I2 (0.41) LMNACCR5CYP2C19POLBMEN1
SCHEMBL17183753 0.86 NR1I2 (0.41) LMNACCR5CYP2C19POLBMEN1
SCHEMBL17183652 0.86 NR1I2 (0.41) LMNACCR5CYP2C19POLBMEN1
SCHEMBL17183755 0.86 NR1I2 (0.41) LMNACCR5CYP2C19POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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