SCHEMBL9994207

SCHEMBL9994207

CCCCCCCc1c(C)sc(C)c1CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GPR35 Q9HC97 5/20 0.39
TYMP P19971 2/20 0.38
PTGS2 P35354 3/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL13337265 1.00 TSHR (0.42) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL18325070 1.00 TSHR (0.42) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL21419520 0.89 HTT (0.39) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL9994180 0.89 ALDH1A1 (0.36) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL16624197 0.88 ALDH1A1 (0.38) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL16363792 0.88 ALDH1A1 (0.38) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL16624185 0.88 ALDH1A1 (0.38) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL27964076 0.88 ALDH1A1 (0.38) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL13863664 0.88 ALDH1A1 (0.38) TSHRTHRBALDH1A1GPR35TYMP
SCHEMBL12709444 0.85 GPR35 (0.40) TSHRTHRBALDH1A1GPR35TYMP

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-8148632-B2 Quantum dot solar cell HONEYWELL INTERNATIONAL INC. (US) 2012-04-03 US disclosed
US-20100012191-A1 QUANTUM DOT SOLAR CELL HONEYWELL INTERNATIONAL INC. (US) 2010-01-21 US disclosed