SCHEMBL5807847

SCHEMBL5807847

COC(=O)CCCCCCC/C=C/CC(C)CC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ TSHR P16473 2/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ OXER1 Q8TDS5 1/20 0.41
▸ DGKA P23743 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PRKCE Q02156 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ PRKCA P17252 1/20 0.39

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
SCHEMBL5807849 1.00 ALDH1A1 (0.51) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL7528574 1.00 ALDH1A1 (0.51) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL5479597 0.88 EPHX2 (0.55) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL345020 0.88 EPHX2 (0.55) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL345021 0.88 EPHX2 (0.55) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL5479599 0.88 EPHX2 (0.55) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL10081542 0.85 ALDH1A1 (0.56) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL344957 0.85 ALDH1A1 (0.56) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL344958 0.85 ALDH1A1 (0.56) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL7950960 0.85 EPHX2 (0.49) ALDH1A1LMNAEPHX2TSHRCNR2

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
WO-2006102777-A1 SKIN LIGHTENING METHODS, COMPOSITIONS AND PRODUCTS GIVAUDAN SA (CH) 2006-10-05 — — WO disclosed
US-6326349-B1 MUSK ODOR GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-12-04 — — US disclosed
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