SCHEMBL5576298

SCHEMBL5576298

CCOc1cc(OCC)c(C(=O)C=Cc2cc(Br)c(OC)c(OC)c2)cc1OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 4/20 1.00
▸ MAPT P10636 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CYP1A1 P04798 3/20 0.55
▸ CYP1A2 P05177 3/20 0.55
▸ CYP2D6 P10635 3/20 0.55
▸ CYP1B1 Q16678 3/20 0.55
▸ TUBB4A P04350 1/20 0.54
▸ TUBB P07437 1/20 0.54
▸ TUBA3C P0DPH7 1/20 0.54
▸ TUBA1B P68363 1/20 0.54
▸ TUBA4A P68366 1/20 0.54
▸ TUBB4B P68371 1/20 0.54
▸ TUBB3 Q13509 1/20 0.54
▸ TUBB2A Q13885 1/20 0.54
▸ TUBB8 Q3ZCM7 1/20 0.54
▸ TUBA3E Q6PEY2 1/20 0.54

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
SCHEMBL14454077 1.00 TNFRSF1A (1.00) TNFRSF1AMAPTALDH1A1LMNAKDM4E
SCHEMBL14454078 0.88 TNFRSF1A (1.00) TNFRSF1AMAPTALDH1A1LMNAKDM4E
SCHEMBL5960638 0.77 TNFRSF1A (1.00) TNFRSF1AALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL5960636 0.77 TNFRSF1A (1.00) TNFRSF1AALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL5576293 0.77 TNFRSF1A (0.65) TNFRSF1AMAPTALDH1A1LMNAKDM4E
SCHEMBL7730270 0.76 KDM4E (0.79) TNFRSF1AALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL1134588 0.76 KDM4E (0.79) TNFRSF1AALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL28914840 0.76 GAA (0.79) TNFRSF1AALDH1A1KDM4ETUBB4ATUBB
SCHEMBL30122806 0.76 GAA (0.79) TNFRSF1AALDH1A1KDM4ETUBB4ATUBB
SCHEMBL11469836 0.75 TNFRSF1A (0.60) TNFRSF1AMAPTALDH1A1LMNAKDM4E

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-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 — — US disclosed
Send feedback