SCHEMBL9164484

SCHEMBL9164484

CCCCCC=CCC=CCCCCCCCC1=NCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN7 P35236 1/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
FABP3 P05413 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40
FABP4 P15090 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9164478 1.00 TRPV1 (0.40) TRPV1EPHX2ALDH1A1KDM4EF7
SCHEMBL20750916 1.00 TRPV1 (0.40) TRPV1EPHX2ALDH1A1KDM4EF7
SCHEMBL9160070 0.95 EPHX2 (0.42) TRPV1EPHX2ALDH1A1DUSP3LMNA
SCHEMBL9161764 0.95 EPHX2 (0.42) TRPV1EPHX2ALDH1A1DUSP3LMNA
SCHEMBL9160076 0.95 EPHX2 (0.42) TRPV1EPHX2ALDH1A1DUSP3LMNA
SCHEMBL2492439 0.95 EPHX2 (0.42) TRPV1EPHX2ALDH1A1DUSP3LMNA
SCHEMBL2492444 0.95 EPHX2 (0.42) TRPV1EPHX2ALDH1A1DUSP3LMNA
SCHEMBL9161754 0.95 EPHX2 (0.42) TRPV1EPHX2ALDH1A1DUSP3LMNA
SCHEMBL10445125 0.92 EPHX2 (0.38) TRPV1EPHX2ALDH1A1KDM4EF7
SCHEMBL10445126 0.92 EPHX2 (0.38) TRPV1EPHX2ALDH1A1KDM4EF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315856-B1 Process for the preparation of 2-alkyl- and 2-alkenyl- oxazolines HENKEL KGAA (DE) 1995-04-19 EP disclosed
US-5130440-A PROCESS FOR THE PRODUCTION OF 2-ALKYL- OR ALKENYL-2-OXAZOLINES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-07-14 US disclosed
EP-0315856-A1 Process for the preparation of 2-alkyl- and 2-alkenyl- oxazolines Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-17 EP disclosed