SCHEMBL28249573

SCHEMBL28249573

CC=CC=CCOC(=O)C(C)C.CC=CC=CCOC(=O)CCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 1/20 0.32
PRKCA P17252 2/20 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
SCHEMBL2146119 0.90 ALDH1A1 (0.41) TSHRALDH1A1CNR2CNR1PPARG
SCHEMBL2146116 0.90 ALDH1A1 (0.41) TSHRALDH1A1CNR2CNR1PPARG
SCHEMBL3507242 0.87 CNR2 (0.39) CNR2CNR1PPARGPPARDPPARA
SCHEMBL872997 0.87 CNR2 (0.39) CNR2CNR1PPARGPPARDPPARA
SCHEMBL872996 0.87 CNR2 (0.39) CNR2CNR1PPARGPPARDPPARA
SCHEMBL22581641 0.80 TSHR (0.50) TSHRALDH1A1CNR1MAPT
SCHEMBL2436353 0.79 ALDH1A1 (0.48) TSHRALDH1A1CNR1MAPT
SCHEMBL1695438 0.79 ALDH1A1 (0.48) TSHRALDH1A1CNR1MAPT
SCHEMBL20646268 0.78 TSHR (0.46) TSHRALDH1A1MAPT
SCHEMBL19924320 0.78 TSHR (0.60) TSHRALDH1A1MAPTPRKCA

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
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed