SCHEMBL6409271

SCHEMBL6409271

C=C(C)C(=O)[CH]CCCCCCCCCCC=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6407156 0.85 TSHR (0.35) TSHRALDH1A1TDP1
SCHEMBL19921872 0.83 TSHR (0.46) TSHRFAAHMAPTUSP2LMNA
SCHEMBL28565937 0.81 TSHR (0.42) TSHRFAAHALDH1A1MAPTUSP2
Methacrylic Acid SCHEMBL15392574 0.80 TSHR (0.48) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL3624636 0.79 ALDH1A1 (0.33) ALDH1A1USP2
SCHEMBL15524747 0.78 ALDH1A1 (0.41) TSHRALDH1A1MAPTUSP2LMNA
SCHEMBL7132092 0.78 ALDH1A1 (0.37) TSHRALDH1A1TDP1
Methacrylic Acid SCHEMBL7785580 0.78 TSHR (0.44) TSHRFAAHTRPV1HIF1AALDH1A1
Methacrylic Acid SCHEMBL3305565 0.78 TSHR (0.44) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL487125 0.76 TSHR (0.38) TSHRALDH1A1MAPTUSP2LMNA

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-20050207978-A1 Dental-caries detecting solution NIPPON SHIKA YAKUHIN KK. (JP) 2005-09-22 US disclosed