SCHEMBL2487832

SCHEMBL2487832

C=C(C(=O)O)C1(C(=O)OCCO)CCCCC1C(=O)OCCO

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL27922732 0.77 TSHR (0.36) TSHR
SCHEMBL29119554 0.73 CYP4F2 (0.30) CYP4F2CYP4A11
SCHEMBL21381488 0.73 THRB (0.37) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL9938127 0.67 CYP3A4 (0.33) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL27608706 0.67 TSHR (0.40) TSHR
SCHEMBL9937377 0.67 CYP3A4 (0.35) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL9938495 0.65 PRKCA (0.35) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL16652785 0.65 PRKCA (0.35) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL16652691 0.65 PRKCA (0.35) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL25433243 0.65 TSHR (0.35) CYP3A4ABCB11LMNACYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1410109-B1 PHOTOSENSITIVE RESIN COMPOSITION BASF SE (DE) 2011-10-26 EP disclosed
US-7829257-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. (US) 2010-11-09 US disclosed
US-7556843-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-07-07 US disclosed
US-7425585-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-09-16 US disclosed
EP-1095313-B1 PHOTOPOLYMERIZABLE THERMOSETTING RESIN COMPOSITIONS CIBA SC HOLDING AG (CH) 2008-03-05 EP disclosed
US-20070259278-A1 Photosensitive resin composition IGM GROUP B.V. (NL) 2007-11-08 US disclosed
US-20070249748-A1 Photosensitive resin composition IGM GROUP B.V. (NL) 2007-10-25 US disclosed
US-7247659-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-07-24 US disclosed
US-20040192804-A1 Photosensitive resin composition IGM GROUP B.V. (NL) 2004-09-30 US disclosed
EP-1410109-A1 PHOTOSENSITIVE RESIN COMPOSITION Ciba SC Holding AG (CH) 2004-04-21 EP disclosed
WO-2003010602-A1 PHOTOSENSITIVE RESIN COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-02-06 WO disclosed
US-6485885-B1 Photopolymerizable thermosetting resin compositions CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-26 US disclosed
US-20020020832-A1 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. 2002-02-21 US disclosed
EP-1095313-A1 PHOTOPOLYMERIZABLE THERMOSETTING RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2001-05-02 EP disclosed
WO-2000000869-A1 PHOTOPOLYMERIZABLE THERMOSETTING RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-01-06 WO disclosed