SCHEMBL3128133

SCHEMBL3128133

CCCC=CC=CC=CC=CC=C[C]=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
FAAH O00519 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
FASN P49327 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL21838300 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL3128130 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7297392 0.98
SCHEMBL7297388 0.98
SCHEMBL7288344 0.86 FAAH (0.41) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7288349 0.86 FAAH (0.41) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL9724732 0.85 ALDH1A1 (0.61) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL9724735 0.85 ALDH1A1 (0.61) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7295944 0.84 TSHR (0.48) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7295939 0.84 TSHR (0.48) ALDH1A1TSHRFAAHCNR1CNR2

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-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed