SCHEMBL2211209

SCHEMBL2211209

CC(C)=CCCC1(C)CC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.45
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.32
APLNR P35414 1/20 0.32
ALOX5 P09917 2/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 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
SCHEMBL2210551 0.84 POLB (0.37) CD81MEN1KMT2AKDM4EATM
SCHEMBL12512540 0.81 CD81 (0.36) CD81
SCHEMBL3190904 0.81 TRPA1 (0.35) CD81MEN1KMT2AATMALDH1A1
SCHEMBL13796849 0.79 TRPA1 (0.36)
SCHEMBL13796891 0.78 GLA (0.38) CD81MEN1KMT2A
SCHEMBL12511580 0.78 HTT (0.39) CD81ALDH1A1ALOX15
SCHEMBL13796893 0.76 EPHX2 (0.34) ALDH1A1
SCHEMBL13795718 0.76 LMNA (0.43) MEN1KMT2AALDH1A1
SCHEMBL29951620 0.75 APLNR (0.38) CD81MEN1KMT2AALDH1A1APLNR
SCHEMBL13409656 0.74 ALDH1A1 (0.34) CD81KMT2AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642886-B1 Saturated and unsaturated N-Alkamides exhibiting taste and flavor enhancement effect in flavor compositions INT FLAVORS & FRAGRANCES INC (US) 2016-11-16 EP disclosed
EP-2348014-A1 Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions International Flavors & Fragrances Inc. (US) 2011-07-27 EP disclosed
US-7541055-B2 Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-06-02 US disclosed
EP-1642886-A2 Saturated and unsaturated N-Alkamides exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-04-05 EP disclosed
US-20060068071-A1 Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2006-03-30 US disclosed