SCHEMBL3076324

SCHEMBL3076324

CCCC/C=C/CC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.50
F3 P13726 2/20 0.50
PPARG P37231 4/20 0.46
TERT O14746 3/20 0.46
PTPN1 P18031 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
TOP1 P11387 3/20 0.46
MAPT P10636 2/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FABP4 P15090 2/20 0.46
FAAH O00519 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL585188 1.00 F7 (0.50) F7F3PPARGTERTPTPN1
SCHEMBL1026928 1.00 F7 (0.50) F7F3PPARGTERTPTPN1
SCHEMBL3087501 0.94 PPARG (0.53) F7F3PPARGTERTPTPN1
SCHEMBL3087503 0.94 PPARG (0.53) F7F3PPARGTERTPTPN1
SCHEMBL3087851 0.92 TERT (0.56) F7F3PPARGTERTPTPN1
SCHEMBL11791921 0.92 TERT (0.56) F7F3PPARGTERTPTPN1
SCHEMBL3087854 0.92 TERT (0.56) F7F3PPARGTERTPTPN1
Butyric Acid SCHEMBL8096959 0.91 F7 (0.56) F7F3PPARGTERTPTPN1
SCHEMBL3270491 0.88 ACE2 (0.38) MAPTBLMHSD17B10FAAHGMNN
SCHEMBL6302500 0.88 ACE2 (0.38) MAPTBLMHSD17B10FAAHGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58099432-A None JP disclosed
CN-110546247-B 4-ethyl-octene-2/3-carbonitriles as fragrances 西姆莱斯有限公司 2023-02-03 CN disclosed
CN-110546247-A 4-ethyl-octene-2/3-carbonitriles as fragrances SYMRISE AG 2019-12-06 CN disclosed
US-PP21289-P3 Hop plant named ‘HBC 394’ Hop Breeding Company, L.L.C. (US) 2010-09-14 US disclosed
US-20090193555-P1 Hop plant named 'HBC 394' HOP BREEDING COMPANY, LLC 2009-07-30 US disclosed
US-5854241-A Pyrido 3,2,1-I,J! 3,1!benzoxazine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5679675-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
JP-S5899432-A UNSATURATED FATTY ACID OR ITS SALT AND FUNGICIDE CONTAINING THE SAME MARUZEN SEKIYU KAGAKU KK 1983-06-13 JP disclosed