SCHEMBL3379681

SCHEMBL3379681

C=C(CCCCOCCC#N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 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
SCHEMBL3379823 0.98 TBXAS1 (0.35) TBXAS1ZDHHC20GAA
SCHEMBL3379810 0.95 TSHR (0.34) TBXAS1ZDHHC20TSHR
SCHEMBL3376094 0.93 TSHR (0.33) TSHR
SCHEMBL17626951 0.87 MEN1 (0.31)
SCHEMBL1142166 0.81 TBXAS1 (0.38) TBXAS1TSHR
SCHEMBL4434326 0.80 TBXAS1 (0.40) TBXAS1TSHR
SCHEMBL162502 0.80 TBXAS1 (0.40) TBXAS1TSHR
SCHEMBL4423832 0.80 TBXAS1 (0.40) TBXAS1TSHR
SCHEMBL3109004 0.80 TBXAS1 (0.40) TBXAS1TSHR
SCHEMBL3114531 0.80 TBXAS1 (0.40) TBXAS1TSHR

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-20100048803-A1 METHOD FOR PRODUCING POLYMER FOR OIL-RESISTANT RUBBER, POLYMER FOR OIL-RESISTANT RUBBER, COMPOSITION FOR OIL-RESISTANT WEATHER-RESISTANT RUBBER, AND RUBBER MOLDED BODY JSR CORPORATION (JP) 2010-02-25 US disclosed