SCHEMBL998700

SCHEMBL998700

C=CCOC(CCCC)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL9730888 0.80 MEN1 (0.35) TSHRTDP1KMT2A
SCHEMBL11500636 0.80 PTPN1 (0.43) TSHRMAPTPLA2G2C
SCHEMBL2794842 0.79 TSHR (0.39) TSHRKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6545145 0.78 LMNA (0.42) ALDH1A1
SCHEMBL10809091 0.77 CYP2D6 (0.43) TSHRKMT2AALDH1A1MAPT
SCHEMBL17258300 0.76 HSD17B10 (0.37) TDP1ALDH1A1
SCHEMBL11671624 0.76 TSHR (0.37) TSHRTDP1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28469184 0.76 TDP1 (0.33) TDP1
SCHEMBL27607756 0.76 SPHK1 (0.33) TSHRTDP1ALDH1A1
SCHEMBL29106764 0.75 TSHR (0.38) TSHRALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252639-B1 FOAMED MATERIALS COMPRISING A MATRIX HAVING A HIGH HARDBLOCK CONTENT AND PROCESS FOR PREPARING THEM HUNTSMAN INT LLC (US) 2013-05-15 EP disclosed
US-8349908-B2 Foamed materials comprising a matrix having a high highblock content and process for preparing them HUNTSMAN INTERNATIONAL LLC (US) 2013-01-08 US disclosed
US-20110015287-A1 FOAMED MATERIALS COMPRISING A MATRIX HAVING A HIGH HIGHBLOCK CONTENT AND PROCESS FOR PREPARING THEM HUNTSMAN INTERNATIONAL LLC (US) 2011-01-20 US disclosed
EP-2252639-A1 FOAMED MATERIALS COMPRISING A MATRIX HAVING A HIGH HARDBLOCK CONTENT AND PROCESS FOR PREPARING THEM Huntsman International LLC (US) 2010-11-24 EP disclosed
WO-2009109600-A1 FOAMED MATERIALS COMPRISING A MATRIX HAVING A HIGH HARDBLOCK CONTENT AND PROCESS FOR PREPARING THEM HUNTSMAN INTERNATIONAL LLC (US) 2009-09-11 WO disclosed