SCHEMBL3137968

SCHEMBL3137968

C=C(C)C(=O)Oc1scc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL669124 0.76 ADRA2A (0.34) KMT2A
SCHEMBL647119 0.75 ELANE (0.39) ELANEALDH1A1KMT2AATM
SCHEMBL9076071 0.71 ELANE (0.36) ELANEALDH1A1KMT2AATM
SCHEMBL3135527 0.69 DAO (0.41) ELANEALDH1A1KMT2AATM
SCHEMBL17708233 0.69 ALDH1A1 (0.42) ELANEALDH1A1KMT2AATM
SCHEMBL9627001 0.68 ELANE (0.46) ELANEALDH1A1KMT2AATM
SCHEMBL17842623 0.67 POLB (0.42) ELANEALDH1A1KMT2AATM
SCHEMBL3192492 0.66 POLB (0.53) ELANEALDH1A1KMT2AATM
SCHEMBL13134171 0.64 KDM4E (0.36) ELANEALDH1A1KMT2AATM
SCHEMBL15388582 0.64 POLB (0.41) ELANEALDH1A1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139878-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (DE) 2010-01-06 EP disclosed
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed