SCHEMBL693

SCHEMBL693

CCOC(=O)c1ccoc1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
TARBP2 Q15633 1/20 0.47
ALDH1A1 P00352 8/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 2/20 0.41
PKM P14618 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 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
SCHEMBL3504414 0.88 TSHR (0.56) TSHRALDH1A1NPSR1CYP3A4CYP2C19
SCHEMBL14564453 0.84 ALDH1A1 (0.63) TSHRALDH1A1NPSR1TP53MAPT
SCHEMBL9256829 0.78 TP53 (0.50) ALDH1A1TP53MEN1KMT2AKDM4E
SCHEMBL7732476 0.77 SMN1; SMN2 (0.53) TSHRALDH1A1NPSR1CYP3A4TP53
SCHEMBL14052467 0.77 MEN1 (0.41) TSHRALDH1A1NPSR1TP53MAPT
SCHEMBL8315867 0.77 ALDH1A1 (0.43) ALDH1A1CYP2C19TP53MAPTMEN1
SCHEMBL8628117 0.77 TSHR (0.53) TSHRALDH1A1NPSR1TP53MAPT
Hydrochloric Acid SCHEMBL2895852 0.76 SMN1; SMN2 (0.52) TSHRALDH1A1NPSR1CYP3A4TP53
SCHEMBL1757222 0.76 ALDH1A1 (0.60) TSHRALDH1A1NPSR1CYP2C19TP53
SCHEMBL5773388 0.76 TARBP2 (0.48) TSHRTARBP2ALDH1A1NPSR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed