SCHEMBL11736723

SCHEMBL11736723

COc1ccc2cc(C(C)C(=O)N3CCCCC3CCC3CCCCC3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
SMYD3 Q9H7B4 2/20 0.47
PTGS2 P35354 4/20 0.46
PTGS1 P23219 2/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
TSHR P16473 2/20 0.46
CDC42 P60953 1/20 0.46
RAC1 P63000 1/20 0.46
CYP1A2 P05177 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11734040 0.94 POLB (0.53) POLBSMYD3PTGS2PTGS1AKR1C3
SCHEMBL11737004 0.91 POLB (0.56) POLBSMYD3PTGS2PTGS1AKR1C3
SCHEMBL11737814 0.87 POLB (0.54) POLBSMYD3PTGS2PTGS1AKR1C3
SCHEMBL11730090 0.85 POLB (0.72) POLBSMYD3PTGS2PTGS1AKR1C3
SCHEMBL11737850 0.83 POLB (0.65) POLBSMYD3PTGS2PTGS1AKR1C3
SCHEMBL11732002 0.82 POLB (0.60) POLBSMYD3PTGS2PTGS1AKR1C3
Hydrochloric Acid SCHEMBL11736628 0.80 ABCB11 (0.46) POLBSMYD3PTGS2PTGS1AKR1C3
SCHEMBL11278320 0.75 POLB (0.77) POLBSMYD3PTGS2PTGS1AKR1C3
SCHEMBL11733421 0.75 ABCB11 (0.45) POLBPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL11739546 0.73 ABCB11 (0.51) POLBL3MBTL1

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
US-4028366-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-06-07 US claimed
US-4028366-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-06-07 US disclosed
US-4005093-A ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-01-25 US disclosed