SCHEMBL9724004

SCHEMBL9724004

CC(=O)Nc1ccc(C(=O)OC(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.71
▸ MAPT P10636 6/20 0.71
▸ MEN1 O00255 5/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ CA12 O43570 2/20 0.71
▸ CA1 P00915 2/20 0.71
▸ CA2 P00918 2/20 0.71
▸ CA7 P43166 2/20 0.71
▸ CA9 Q16790 2/20 0.71
▸ CA14 Q9ULX7 2/20 0.71
▸ BRD4 O60885 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ MB P02144 1/20 0.71
▸ CYP1A1 P04798 1/20 0.71
▸ CA3 P07451 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ RARG P13631 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ ALOX5AP P20292 1/20 0.71
▸ CA4 P22748 1/20 0.71

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
SCHEMBL10565877 0.93 KMT2A (0.60) KMT2AMAPTMEN1ALDH1A1CA12
SCHEMBL10565889 0.86 ALDH1A1 (0.71) KMT2AMAPTMEN1ALDH1A1RAB9A
Acetaminophen SCHEMBL252939 0.84 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1CA12
Acetaminophen SCHEMBL3480 0.84 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1CA12
Acetaminophen SCHEMBL8937727 0.84 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1CA12
SCHEMBL24347611 0.83 ALDH1A1 (0.80) KMT2AMAPTMEN1ALDH1A1CA12
Acetaminophen SCHEMBL29086803 0.83 KMT2A (0.87) KMT2AMAPTMEN1ALDH1A1CA12
Acetaminophen SCHEMBL10325382 0.82 KMT2A (0.95) KMT2AMAPTMEN1ALDH1A1CA12
Acetaminophen SCHEMBL20541508 0.82 ALDH1A1 (0.95) KMT2AMAPTMEN1ALDH1A1CA12
Acetaminophen SCHEMBL8959271 0.82 KMT2A (0.95) KMT2AMAPTMEN1ALDH1A1CA12

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-RE32268-E VIRICIDES STRATEGIC MEDICAL RESEARCH CORP. (US) 1986-10-21 — — US claimed
US-4016261-A VIRICIDE MONOSACCHARIDES STRATEGIC MEDICAL RESEARCH CORPORATION (US) 1977-04-05 — — US claimed
US-5157024-A Method of enhancing the activity of phagocytes including macrophages, modulating the cellular or humoral immune response, and reducing the adverse effects of stress in warm blooded animals STRATEGIC MEDICAL RESEARCH CORPORATION (US) 1992-10-20 — — US disclosed
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