SCHEMBL20175892

SCHEMBL20175892

CCC[N+](CC)(CCC)CCO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.50
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
KCNA1 Q09470 1/20 0.39
DNM1 Q05193 6/20 0.38
KDM4E B2RXH2 1/20 0.37
PMP22 Q01453 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28465660 1.00 SLC22A1 (0.50) SLC22A1TSHRNFKB1KCNA1DNM1
Water SCHEMBL25183773 0.95 SLC22A1 (0.53) SLC22A1TSHRNFKB1KCNA1DNM1
SCHEMBL28465064 0.94 SLC22A1 (0.50) SLC22A1TSHRNFKB1KCNA1DNM1
Hydrochloric Acid SCHEMBL8694682 0.92 SLC22A1 (0.47) SLC22A1TSHRNFKB1KCNA1DNM1
SCHEMBL10002130 0.92 SLC22A1 (0.47) SLC22A1TSHRNFKB1KCNA1DNM1
SCHEMBL1686254 0.91 TSHR (0.47) SLC22A1TSHRNFKB1KCNA1DNM1
SCHEMBL20175886 0.90 SLC22A1 (0.50) SLC22A1DNM1
Water SCHEMBL28477638 0.89 SLC22A1 (0.53) SLC22A1TSHRNFKB1KCNA1DNM1
SCHEMBL14839961 0.88 SLC22A1 (0.67) SLC22A1TSHRDNM1MEN1LMNA
Water SCHEMBL2032857 0.88 TSHR (0.44) SLC22A1TSHRNFKB1KCNA1DNM1

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-20180143532-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-24 US disclosed