SCHEMBL7513265

SCHEMBL7513265

CCOC(=O)Nc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
TSHR P16473 1/20 0.55
GAA P10253 2/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL11287711 0.91 KDM4E (0.51) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL28912292 0.88 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL13985002 0.87 HPGD (0.51) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL2089843 0.84 POLB (0.56) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL9977906 0.84 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL11659164 0.83 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL11437459 0.83 KMT2A (0.64) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL3110441 0.82 KDM4E (0.58) KDM4EALDH1A1KMT2ATSHRGAA
SCHEMBL10817064 0.82 SMN1; SMN2 (0.71) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL11767621 0.82 KDM4E (0.70) KDM4EALDH1A1KMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063905-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-14 EP claimed
US-4482546-A Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-13 US claimed
EP-0063905-A1 Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-03 EP claimed
EP-0856001-B1 PYRIMIDINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-08-28 EP disclosed
EP-0856001-A1 PYRIMIDINE DERIVATIVES AS 5HT 2C?-RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 EP disclosed
US-5753663-A 5HT2C ANTAGONIST, USEFUL FOR TREATING ANXIETY, PAIN, OBSESSIVE COMPULSIVE DISORDER, ALCOHOLISM, DEPRESSION, MIGRAINE, SLEEP DISORDER, ANOREXIA NERVOSA AND PRIAPISM SYNTEX (U.S.A.) INC. (US) 1998-05-19 US disclosed
WO-1997012880-A1 PYRIMIDINE DERIVATIVES AS 5HT2C-RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 1997-04-10 WO disclosed
US-4690946-A Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-01 US disclosed
EP-0063905-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-14 EP disclosed
US-4482546-A Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-13 US disclosed