SCHEMBL18558014

SCHEMBL18558014

CC1(C)Oc2cccc(CCCI)c2O1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.34
MTNR1A P48039 5/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1695785 0.81 ALDH1A1 (0.41) ALDH1A1CCR8KCNH2MTNR1ATSHR
SCHEMBL12681552 0.78 ALDH1A1 (0.46) ALDH1A1CCR8KCNH2MTNR1ATSHR
SCHEMBL1690118 0.73 ALDH1A1 (0.40) ALDH1A1CCR8KCNH2TSHR
SCHEMBL18970159 0.73 GABRA1 (0.44) ALDH1A1CCR8KCNH2TSHR
SCHEMBL15721688 0.70 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL18719369 0.69 ALDH1A1 (0.37) ALDH1A1CCR8KCNH2TSHR
SCHEMBL14612087 0.68 ALDH1A1 (0.51) ALDH1A1CCR8KCNH2MTNR1ATSHR
SCHEMBL1902846 0.68 ALDH1A1 (0.48) ALDH1A1CCR8KCNH2MTNR1ATSHR
SCHEMBL10522329 0.67 ALDH1A1 (0.46) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1758051 0.67 ALDH1A1 (0.47) ALDH1A1CCR8KCNH2MTNR1ATSHR

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-9580623-B2 Patterning process using a boron phosphorus silicon glass film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-28 US disclosed