SCHEMBL7567073

SCHEMBL7567073

CCCCCCCCCCc1[c]c(CCCCCCCCCC)c(CCCCCCCCCC)[c]c1CCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSPD1 P10809 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL258328 0.85 TSHR (0.38) TSHRTHRBPTGS2ALDH1A1LMNA
SCHEMBL1659881 0.85 TSHR (0.38) TSHRTHRBPTGS2ALDH1A1LMNA
SCHEMBL1658512 0.85 TSHR (0.38) TSHRTHRBPTGS2ALDH1A1LMNA
SCHEMBL1661434 0.81 CYP19A1 (0.36) TSHRTHRBPTGS2ALDH1A1LMNA
SCHEMBL4844580 0.76 PTGS2 (0.40) TSHRTHRBPTGS2ALDH1A1LMNA
SCHEMBL4846766 0.76 PTGS2 (0.40) TSHRTHRBPTGS2ALDH1A1LMNA
SCHEMBL4851247 0.76 PTGS2 (0.40) TSHRTHRBPTGS2ALDH1A1LMNA
Tetradecane SCHEMBL23924271 0.69 TSHR (1.00) TSHRTHRBALDH1A1LMNAHSD17B10
Decane SCHEMBL23499900 0.69 TSHR (1.00) TSHRTHRBALDH1A1LMNAHSD17B10
Decane SCHEMBL3666565 0.69 TSHR (1.00) TSHRTHRBALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113934112-A Protective film, photosensitive resin composition and display device 日铁化学材料株式会社 2022-01-14 CN disclosed
EP-0835924-B1 Use of an additive for dispersing calcium sulfate in a lubricating oil for diesel engines KAO CORP (JP) 2002-09-11 EP disclosed
EP-0835924-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES Kao Corporation (JP) 1998-04-15 EP disclosed