SCHEMBL11701645

SCHEMBL11701645

O=C(O)Cc1cccc2c1OCC2c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.44
CYP19A1 P11511 2/20 0.42
AKR1B1 P15121 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CFD P00746 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CXCL8 P10145 1/20 0.36
PSMB8 P28062 2/20 0.35
PSMB5 P28074 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
SCHEMBL19437410 0.72 BRD4 (0.71) BRD4
SCHEMBL10587461 0.71 CFD (0.42) AKR1B1TDP1CFDF11KLKB1
SCHEMBL10594523 0.70 AKR1B1 (0.37) AKR1B1TDP1CFDF11KLKB1
SCHEMBL7082800 0.70 AKR1B1 (0.37) BRD4AKR1B1TDP1CXCL8
SCHEMBL10587133 0.69 USP2 (0.44) TDP1
SCHEMBL10584219 0.69 AKR1B1 (0.36) CYP19A1AKR1B1TDP1CFDF11
SCHEMBL16978818 0.68 KIF11 (0.48) BRD4CYP19A1
SCHEMBL7088888 0.68 EDNRA (0.39) BRD4AKR1B1TDP1CXCL8
SCHEMBL7081707 0.68 AKR1B1 (0.37) BRD4AKR1B1TDP1CFDF11
SCHEMBL3402977 0.67 KDM4C (0.50) AKR1B1TDP1

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-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed