SCHEMBL6969232

SCHEMBL6969232

CC(C)(C)c1cc(Cc2nc3cccc(Br)c3o2)cc(C(C)(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
ACHE P22303 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
BLM P54132 2/20 0.35
ATM Q13315 2/20 0.35
HIF1A Q16665 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GMNN O75496 1/20 0.35
GABBR2 O75899 1/20 0.35

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
SCHEMBL6972804 0.81 DHFR (0.38) DHFRLMNAALDH1A1TSHRGAA
SCHEMBL6960207 0.81 DHFR (0.38) DHFRLMNAALDH1A1TSHRMEN1
SCHEMBL7735172 0.81 SMN1; SMN2 (0.59) DHFRLMNAALDH1A1TSHRGAA
SCHEMBL6960215 0.75 GAA (0.36) DHFRACHEGAAMEN1KMT2A
SCHEMBL21685149 0.72 ELANE (0.37) MEN1KMT2AELANEMAPT
SCHEMBL7735664 0.69 MAPT (0.58) LMNAGAAMEN1KMT2ATP53
SCHEMBL6971919 0.69 DHFR (0.36) DHFRLMNAALDH1A1TSHRGAA
SCHEMBL21685060 0.69 MAPT (0.40) ALDH1A1KMT2AELANEMAPT
SCHEMBL19730339 0.68 CA2 (0.54) DHFRLMNAALDH1A1TSHRGAA
SCHEMBL30358399 0.68 ELANE (0.34) LMNAMEN1KMT2ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785927-B1 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 2003-08-27 EP disclosed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
US-6365606-B1 TREATMENT OF DISEASES WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF CYTOKINES; SIDE EFFECT REDUCTION; ISOINDOLES; BRONCHODILATOR; ANTI-INFLAMMATORY AGENT EURO-CELTIQUE, S.A. (LU) 2002-04-02 US disclosed
EP-1160247-A1 6,5-Fused aromatic ring systems having enhanced phosphodiesterae IV inhibitory activity Euro-Celtique S.A. (LU) 2001-12-05 EP disclosed
US-6075016-A 6,5-fused aromatic ring systems having enhanced phosphodiesterase IV inhibitory activity EURO-CELTIQUE S.A. (LU) 2000-06-13 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed