SCHEMBL4901936

SCHEMBL4901936

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
CCR5 P51681 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
CYP2D6 P10635 1/20 0.37
MIF P14174 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL2133730 1.00 CYP2C19 (0.48) CYP2C19SMN1; SMN2LMNACCR5ALDH1A1
SCHEMBL9003499 0.87 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4354928 0.84 CYP2C19 (0.46) CYP2C19SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL5040126 0.82 SLC6A2 (0.36) CYP2C19SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL3046900 0.81 CYP2C19 (0.43) CYP2C19SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1111815 0.81 LMNA (0.45) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL1610252 0.81 CYP2C19 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4908362 0.80 LMNA (0.41) CYP2C19SMN1; SMN2LMNACCR5ALDH1A1
SCHEMBL2132327 0.80 LMNA (0.41) CYP2C19SMN1; SMN2LMNACCR5ALDH1A1
SCHEMBL17183790 0.80 CYP2C19 (0.42) CYP2C19SMN1; SMN2ALDH1A1

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