SCHEMBL8468873

SCHEMBL8468873

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 4/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
EPAS1 Q99814 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL16931550 0.83 ALOX15 (0.37) ALOX15HMGCRCHRM1TBXA2RADRA1A
SCHEMBL16931549 0.83 ALOX15 (0.37) ALOX15HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6436094 0.77 HMGCR (0.54) ALOX15KDM4EATMHMGCRCHRM1
SCHEMBL30618052 0.76 ALOX15 (0.52) ALOX15KDM4EATMHMGCRCHRM1
SCHEMBL30618053 0.76 ALOX15 (0.52) ALOX15KDM4EATMHMGCRCHRM1
SCHEMBL7059001 0.76 ALOX15 (0.52) ALOX15KDM4EATMHMGCRCHRM1
SCHEMBL7062803 0.76 ALOX15 (0.52) ALOX15KDM4EATMHMGCRCHRM1
SCHEMBL580034 0.76 ALOX15 (0.52) ALOX15KDM4EATMHMGCRCHRM1
SCHEMBL11922837 0.76 HMGCR (0.44) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5133981 0.75 ALOX15 (0.35) ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350304-A1 DIAZIRINES AS PHOTOCAGES WHICH RELEASE MOLECULES CONTAINING DOUBLE BONDS Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3350305-A1 RELEASE OF ODORIFEROUS SUBSTANCES FROMMICROCAPSULES Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
WO-2018114355-A1 CLEANING AGENT FOR HARD SURFACES WITH LONG-LASTING FRAGRANCE AND GLOSS EFFECT HENKEL AG & CO. KGAA (DE) 2018-06-28 WO disclosed
WO-2017045892-A1 RELEASE OF ODORIFEROUS SUBSTANCES FROM MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2017-03-23 WO disclosed
WO-2017045891-A1 DIAZIRINES AS PHOTOCAGES WHICH RELEASE MOLECULES CONTAINING DOUBLE BONDS HENKEL AG & CO. KGAA (DE) 2017-03-23 WO disclosed
EP-0949239-A1 Process for the preparation of linalyl acetate BASF AKTIENGESELLSCHAFT (DE) 1999-10-13 EP disclosed
EP-0131254-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRAHYDROFURANES L. GIVAUDAN & CIE Société Anonyme (CH) 1988-05-25 EP disclosed
EP-0131254-A2 Process for the preparation of substituted tetrahydrofuranes L. GIVAUDAN & CIE Société Anonyme (CH) 1985-01-16 EP disclosed