SCHEMBL19644571

SCHEMBL19644571

CCCCOC[C@H]1OC(OC)[C@H](O)[C@@H]1OCCCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 5/20 0.52
TNF P01375 1/20 0.46
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
SSTR5 P35346 1/20 0.41
GBA1 P04062 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
LGALS8 O00214 4/20 0.36
MAPK1 P28482 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
SCHEMBL17359603 1.00 GJB2 (0.52) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL12924474 1.00 GJB2 (0.52) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL280278 1.00 GJB2 (0.52) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL15948696 1.00 GJB2 (0.52) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL17976782 1.00 GJB2 (0.52) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL14532055 0.96 GJB2 (0.48) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL14440515 0.94 GJB2 (0.47) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL14440517 0.94 GJB2 (0.47) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL12898674 0.93 GJB2 (0.54) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL14440521 0.92 GJB2 (0.50) GJB2TNFSSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828388-B2 Thieno[3,2-d]pyrimidine, furo[3,2-d]pyrimidine, and pyrrolo[3,2-D]pyrimidines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2017-11-28 US disclosed