SCHEMBL19834331

SCHEMBL19834331

CCCCCCOC(=O)/C(C#N)=C\C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
NAAA Q02083 1/20 0.44
DNM1 Q05193 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL17142025 1.00 TSHR (0.49) TSHRNAAADNM1HCAR2RAD52
SCHEMBL8000911 0.88 TSHR (0.53) TSHRNAAADNM1HCAR2RAD52
SCHEMBL11147631 0.87 TSHR (0.49) TSHRNAAADNM1HCAR2RAD52
SCHEMBL15844697 0.87 DNM1 (0.44) TSHRDNM1TP53CYP2C9CYP3A4
SCHEMBL15844886 0.87 DNM1 (0.44) TSHRDNM1TP53CYP2C9CYP3A4
SCHEMBL14763315 0.87 DNM1 (0.44) TSHRDNM1TP53CYP2C9CYP3A4
SCHEMBL15844696 0.87 DNM1 (0.44) TSHRDNM1TP53CYP2C9CYP3A4
SCHEMBL14763576 0.87 DNM1 (0.44) TSHRDNM1TP53CYP2C9CYP3A4
SCHEMBL14764711 0.87 DNM1 (0.44) TSHRDNM1TP53CYP2C9CYP3A4
SCHEMBL15845246 0.87 DNM1 (0.44) TSHRDNM1TP53CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098653-A1 Magnetic Base Beverage Container PINCHUK LEONARD (US) 2018-04-12 US disclosed
EP-3277134-A1 MAGNETIC BASE BEVERAGE CONTAINER Pinchuk, Leonard (US) 2018-02-07 EP disclosed