SCHEMBL1716985

SCHEMBL1716985

C=CC(C)(CCC=C(C)C)C(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.49
HIF1A Q16665 4/20 0.37
EPAS1 Q99814 4/20 0.37
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL29833566 0.84 ALOX15 (0.36) ALOX15HIF1AEPAS1
SCHEMBL1705337 0.84 ALOX15 (0.46) ALOX15HIF1AEPAS1FNTAFNTB
SCHEMBL3375028 0.82 ALOX15 (0.47) ALOX15HIF1AEPAS1FNTAFNTB
SCHEMBL1705365 0.81 ALOX15 (0.46) ALOX15HIF1AEPAS1FNTAFNTB
SCHEMBL1705141 0.78 ALOX15 (0.44) ALOX15HIF1AEPAS1FNTAFNTB
Linalool SCHEMBL6056718 0.77 ALOX15 (0.73) ALOX15HIF1AEPAS1FNTAFNTB
SCHEMBL11295977 0.76 ALOX15 (0.52) ALOX15HIF1AEPAS1ALDH1A1KDM4E
Linalool SCHEMBL19212582 0.75 ALOX15 (0.71) ALOX15HIF1AEPAS1FNTAFNTB
SCHEMBL22122625 0.75 HIF1A (0.38) ALOX15HIF1AEPAS1ALDH1A1TSHR
SCHEMBL9933233 0.75 ALOX15 (0.41) ALOX15HIF1AEPAS1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
US-20100287710-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-11-18 US claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
US-10309212-B2 Energetic cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-06-04 US disclosed
US-10253244-B2 Scale-inhibiting cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-04-09 US disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP disclosed
US-20160177698-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. 2016-06-23 US disclosed
US-20160130496-A1 SCALE-INHIBITING COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. 2016-05-12 US disclosed
EP-2145042-A1 TEXTILE SCENTING Henkel AG & Co. KGaA (DE) 2010-01-20 EP disclosed
WO-2008135306-A1 TEXTILE SCENTING HENKEL AG & CO. KGAA (DE) 2008-11-13 WO disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed