SCHEMBL7669246

SCHEMBL7669246

CCOc1cccc(CO)c1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 3/20 0.46
GAA P10253 4/20 0.44
BLM P54132 4/20 0.44
ALOX12 P18054 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 5/20 0.43
THRB P10828 3/20 0.43
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
PLEC Q15149 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL16950723 0.90 L3MBTL1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL16953073 0.89 KMT2A (0.51) ALDH1A1KMT2AL3MBTL1TP53RECQL
SCHEMBL2353503 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL16957328 0.88 CYP4F2 (0.42) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL16956487 0.87 L3MBTL1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5533206 0.85 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL16955081 0.85 KMT2A (0.38) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL16955269 0.84 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL2524621 0.84 L3MBTL1 (0.58) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL16962168 0.83 KMT2A (0.44) ALDH1A1KMT2AMEN1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
US-5149884-A Oxidative dehydrogenation of aromatic or aliphatic alcohols in gas phase BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0244632-B1 TUBE BUNDLE REACTOR, ITS USE IN EXOTHERMAL ORGANIC REACTIONS AND PROCESS FOR THE PREPARATION OF KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
EP-0244632-A2 Tube bundle reactor, its use in exothermal organic reactions and process for the preparation of ketones and aldehydes BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
US-4306083-A Multiphase oxidation of alcohol to aldehyde THE DOW CHEMICAL COMPANY (US) 1981-12-15 US disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed