SCHEMBL27808016

SCHEMBL27808016

CCCCCCCCCCCCC[CH]C(C)CC.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP3A4 P08684 1/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
PTGS1 P23219 1/20 0.34
PPARG P37231 1/20 0.34
OPRK1 P41145 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MAPT P10636 3/20 0.33
THRB P10828 3/20 0.33
GMNN O75496 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 2/20 0.33
POLB P06746 2/20 0.33
CETP P11597 2/20 0.33
MAPK1 P28482 2/20 0.33
CXCR5 P32302 2/20 0.33
CCR6 P51684 2/20 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
SCHEMBL28784339 1.00 TSHR (0.38) TSHRMEN1KMT2ACYP3A4FAAH
SCHEMBL27682275 0.91 TSHR (0.44) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL10588790 0.91 TSHR (0.44) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL1758426 0.91 TSHR (0.44) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL11091492 0.91 TSHR (0.44) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL28314155 0.91 TSHR (0.44) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL1901792 0.91 TSHR (0.44) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL6567800 0.89 TSHR (0.40) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL27889806 0.82
SCHEMBL4620266 0.82

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
CN-101768336-A Polyester/phyllosilicate nano composite material and production method thereof TORAY FIBER RES INST CN CO LTD 2010-07-07 CN claimed
CN-101768336-A Polyester/phyllosilicate nano composite material and production method thereof TORAY FIBER RES INST CN CO LTD 2010-07-07 CN disclosed