SCHEMBL11273441

SCHEMBL11273441

CC(=O)CCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
NCOR2 Q9Y618 2/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
ACHE P22303 3/20 0.48
BCHE P06276 2/20 0.48
RORC P51449 1/20 0.48
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL10150374 0.96 ALDH1A1 (0.57) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL8544592 0.91 BCHE (0.58) ALDH1A1L3MBTL1ACHEBCHEKMT2A
SCHEMBL8642987 0.90 HDAC3 (0.59) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL8850877 0.90 HDAC3 (0.59) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9824509 0.89 HDAC3 (0.59) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL17763505 0.88 CARM1 (0.50) ALDH1A1HDAC3HDAC1HDAC2HDAC8
Ethylene SCHEMBL9824504 0.86 HDAC3 (0.56) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12924894 0.85 NPC1 (0.46) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL17830167 0.84 ALDH1A1 (0.45) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL10202881 0.84 POLB (0.50) ALDH1A1HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4341789-A ANTISECRETORY, ANTIAGGLOMERANTS, BRONCHODILATOR AND ANTIFERTILITY AGENTS BEECHAM GROUP LIMITED (GB) 1982-07-27 US disclosed
US-4299970-A CHEMICAL INTERMEDIATES FOR AZAPROSTAGLANDINS BEECHAM GROUP LIMITED (GB) 1981-11-10 US disclosed
US-4201864-A CHEMICAL INTERMEDIATES, PROSTAGLANDINS BEECHAM GROUP LIMITED (GB) 1980-05-06 US disclosed
US-4177283-A ANTISECRETORY, ANTICOAGULANT, BRONCHODILATOR BEECHAM GROUP LIMITED (GB) 1979-12-04 US disclosed
US-4138407-A ANTISECRETORY, BRONCHODILATOR, ANTICOAGULANT BEECHAM GROUP LIMITED (GB) 1979-02-06 US disclosed