SCHEMBL20160931

SCHEMBL20160931

CCN(CCOCC(C)C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MLNR O43193 1/20 0.42
CACNA1F O60840 1/20 0.42
NR1I2 O75469 1/20 0.42
KCNK2 O95069 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL11507076 0.86 TSHR (0.53) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL7736379 0.85 ALDH1A1 (0.33) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL11730514 0.83 TSHR (0.41) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL8391497 0.82 TSHR (0.50) TSHRMEN1KMT2AMAPTHTT
SCHEMBL7931309 0.81 TSHR (0.48) TSHRMEN1KMT2AMAPTHTT
SCHEMBL19420447 0.80 CNR2 (0.37) TSHRALDH1A1KCNH2TAAR1CNR2
SCHEMBL11730500 0.79 TSHR (0.47) TSHRMEN1KMT2AMAPTHTT
SCHEMBL31022226 0.79 TSHR (0.47) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL2608919 0.79 LMNA (0.38) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL20152444 0.78 PRSS1 (0.39) TSHRCYP3A4ALDH1A1KCNH2TAAR1

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-20180137984-A1 SOLID STATE ENERGY STORAGE DEVICE CAPACITOR SCIENCES INCORPORATED 2018-05-17 US disclosed