SCHEMBL11816591

SCHEMBL11816591

O=C(NN1C(=O)c2cccc(F)c2C1=O)c1ccccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.72
▸ PTGS2 P35354 1/20 0.72
▸ KDM4E B2RXH2 6/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CA4 P22748 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL11806081 0.88 PTGS1 (0.68) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL11813323 0.85 PTGS1 (0.74) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL11812714 0.85 PTGS1 (0.74) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL577155 0.84 PTGS1 (1.00) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL11810343 0.84 PTGS1 (0.72) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL11812387 0.84 PTGS1 (0.72) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL11802947 0.83 PTGS1 (0.70) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL11808770 0.82 PTGS1 (0.68) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL11811782 0.81 PTGS1 (0.67) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL11809056 0.81 PTGS1 (0.67) PTGS1PTGS2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956331-A STABILIZER FOR POLYOLEFIN UBE INDUSTRIES, LTD. (JA) 1976-05-11 — — US disclosed
US-3933736-A HOMO- AND CO-POLYMERS OF ETHYLENE, PROPYLENE, BUTENE-1, PENTENE-1, AND 4-METHYLPENTENE-1 WITH ETHYL ACRYLATE OR VINYL ACETATE UBE INDUSTRIES, LTD. (JA) 1976-01-20 — — US disclosed
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