SCHEMBL8750502

SCHEMBL8750502

CCOC(=O)C(CCC=C(C)C)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.47
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.34
USP2 O75604 1/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL8756611 0.82 ALOX15 (0.44) ALOX15CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL16897675 0.80 ALOX15 (0.51) ALOX15CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL8750536 0.75 ALOX15 (0.46) ALOX15CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL5209140 0.75 ALDH1A1 (0.46) ALOX15CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL14606153 0.75 ALOX15 (0.58) ALOX15CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL29282542 0.74 CA2 (0.41) ALDH1A1TSHRMETAP2
SCHEMBL28127614 0.74 ALDH1A1 (0.39) ALOX15CYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL27710742 0.74 ALOX15 (0.45) ALOX15CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL638162 0.73 ALDH1A1 (0.42) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3700073 0.73 ALDH1A1 (0.42) ALOX15ALDH1A1TSHRLMNAHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418680-A2 Oxygen or sulfur containing acyclic terpenes GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1991-03-27 EP claimed
EP-0418680-B1 Sulfur containing acyclic terpenes GIVAUDAN ROURE INT (CH) 1997-04-02 EP disclosed
US-5024847-A Flavors and fragrances; consumable and non-consumable, fruity, floral, woody BASF K&F CORPORATION (US) 1991-06-18 US disclosed
EP-0418680-A2 Oxygen or sulfur containing acyclic terpenes GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1991-03-27 EP disclosed