SCHEMBL8886597

SCHEMBL8886597

[CH2]C(CC)Oc1cccc(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 2/20 0.38
FAAH O00519 1/20 0.38
BCHE P06276 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PTGS1 P23219 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MDM4 O15151 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9327382 0.79 KDM4E (0.49) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL2737262 0.77 KDM4E (0.49) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL8887353 0.77 IDO1 (0.38) TSHRMEN1KMT2ATP53CYP3A4
SCHEMBL20314712 0.76 KDM4E (0.49) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL8886475 0.76 KDM4E (0.46) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL8886480 0.76 KDM4E (0.46) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL28639522 0.76 SMN1; SMN2 (0.56) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL25331886 0.75 SLC6A4 (0.39) KDM4ETSHRALDH1A1LMNAPPARG
SCHEMBL3468664 0.75 SLC6A4 (0.39) KDM4ETSHRALDH1A1LMNAPPARG
SCHEMBL9064396 0.75 PPARG (0.51) KDM4EALOX5PPARGPPARATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed