SCHEMBL9160076

SCHEMBL9160076

CCCCCCCCC=CCCCCCCCCCCCC1=NCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL2492439 1.00 EPHX2 (0.42) EPHX2FAAHTRPV1CDC25ACDC25B
SCHEMBL9161754 1.00 EPHX2 (0.42) EPHX2FAAHTRPV1CDC25ACDC25B
SCHEMBL9160070 1.00 EPHX2 (0.42) EPHX2FAAHTRPV1CDC25ACDC25B
SCHEMBL9161764 1.00 EPHX2 (0.42) EPHX2FAAHTRPV1CDC25ACDC25B
SCHEMBL2492444 1.00 EPHX2 (0.42) EPHX2FAAHTRPV1CDC25ACDC25B
SCHEMBL9164484 0.95 TRPV1 (0.40) EPHX2TRPV1ALDH1A1TSHRLMNA
SCHEMBL20750916 0.95 TRPV1 (0.40) EPHX2TRPV1ALDH1A1TSHRLMNA
SCHEMBL9164478 0.95 TRPV1 (0.40) EPHX2TRPV1ALDH1A1TSHRLMNA
SCHEMBL9741629 0.94 ALDH1A1 (0.39) EPHX2FAAHTRPV1CDC25ACDC25B
SCHEMBL10380755 0.91 EPHX2 (0.40) EPHX2FAAHTRPV1CDC25ACDC25B

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